REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3lcg_1_D DATA FIRST_RESID 1 DATA SEQUENCE MATNLRGVMA ALLTPFDQQQ ALDKASLRRL VQFNIQQGID GLYVGGSTGE DATA SEQUENCE AFVQSLSERE QVLEIVAEEA KGKIKLIAHV GCVSTAESQQ LAASAKRYGF DATA SEQUENCE DAVSAVTPFY YPFSFEEHCD HYRAIIDSAD GLPMVVYNIP ALSGVKLTLD DATA SEQUENCE QINTLVTLPG VGALKQTSGD LYQMEQIRRE HPDLVLYNGY DEIFASGLLA DATA SEQUENCE GADGGIGSTY NIMGWRYQGI VKALKEGDIQ TAQKLQTECN KVIDLLIKTG DATA SEQUENCE LFRGLKTVLH YMDVVSVPLC RKPFGPVDEK YLPELKALAQ QLMQER VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.314 176.300 0.023 0.000 1.140 1 M CA 0.000 55.313 55.300 0.022 0.000 0.988 1 M CB 0.000 32.611 32.600 0.018 0.000 1.302 2 A N 0.238 123.069 122.820 0.019 0.000 1.972 2 A HA -0.012 4.308 4.320 -0.000 0.000 0.219 2 A C 1.815 179.414 177.584 0.024 0.000 1.169 2 A CA 2.518 54.566 52.037 0.018 0.000 0.635 2 A CB -0.544 18.464 19.000 0.014 0.000 0.810 2 A HN 0.514 nan 8.150 nan 0.000 0.446 3 T N -0.996 113.574 114.554 0.027 0.000 3.040 3 T HA 0.126 4.476 4.350 -0.000 0.000 0.266 3 T C 0.457 175.182 174.700 0.041 0.000 1.005 3 T CA -0.192 61.928 62.100 0.034 0.000 0.906 3 T CB -0.237 68.648 68.868 0.028 0.000 1.082 3 T HN 0.465 nan 8.240 nan 0.000 0.531 4 N N 1.995 120.718 118.700 0.039 0.000 2.452 4 N HA 0.115 4.855 4.740 -0.000 0.000 0.266 4 N C 0.637 176.188 175.510 0.068 0.000 1.209 4 N CA 0.109 53.185 53.050 0.043 0.000 0.929 4 N CB 0.259 38.767 38.487 0.036 0.000 1.063 4 N HN 0.197 nan 8.380 nan 0.000 0.472 5 L N 2.255 123.526 121.223 0.079 0.000 2.607 5 L HA 0.224 4.564 4.340 -0.000 0.000 0.228 5 L C 0.768 177.741 176.870 0.171 0.000 1.123 5 L CA -0.076 54.854 54.840 0.149 0.000 0.890 5 L CB -0.104 42.065 42.059 0.183 0.000 1.103 5 L HN 0.427 nan 8.230 nan 0.000 0.468 6 R N 0.743 121.283 120.500 0.067 0.000 2.590 6 R HA 0.468 4.808 4.340 -0.000 0.000 0.274 6 R C 0.363 176.744 176.300 0.136 0.000 1.061 6 R CA 0.591 56.712 56.100 0.035 0.000 1.081 6 R CB 0.554 30.849 30.300 -0.010 0.000 0.984 6 R HN 0.183 nan 8.270 nan 0.000 0.448 7 G N 0.143 109.060 108.800 0.195 0.000 2.362 7 G HA2 0.030 3.990 3.960 -0.000 0.000 0.288 7 G HA3 0.030 3.990 3.960 -0.000 0.000 0.288 7 G C -1.687 173.387 174.900 0.291 0.000 1.305 7 G CA -1.024 44.203 45.100 0.211 0.000 0.910 7 G HN 0.382 nan 8.290 nan 0.000 0.518 8 V N 1.302 121.347 119.914 0.218 0.000 2.333 8 V HA 0.646 4.766 4.120 -0.000 0.000 0.274 8 V C 0.339 176.554 176.094 0.200 0.000 1.028 8 V CA 0.053 62.477 62.300 0.206 0.000 0.851 8 V CB 0.794 32.630 31.823 0.021 0.000 1.000 8 V HN 0.599 nan 8.190 nan 0.000 0.456 9 M N 4.210 123.959 119.600 0.248 0.000 2.253 9 M HA 0.662 5.142 4.480 -0.000 0.000 0.314 9 M C 0.010 176.348 176.300 0.063 0.000 1.019 9 M CA -0.450 54.925 55.300 0.124 0.000 0.932 9 M CB 2.161 34.763 32.600 0.003 0.000 1.606 9 M HN 0.607 nan 8.290 nan 0.000 0.430 10 A N 2.379 125.247 122.820 0.080 0.000 2.401 10 A HA 0.699 5.019 4.320 -0.000 0.000 0.259 10 A C 0.199 177.705 177.584 -0.131 0.000 1.103 10 A CA -0.503 51.496 52.037 -0.064 0.000 0.789 10 A CB 0.270 19.299 19.000 0.049 0.000 1.035 10 A HN 0.902 nan 8.150 nan 0.000 0.491 11 A N 2.669 125.340 122.820 -0.249 0.000 2.376 11 A HA 0.494 4.814 4.320 -0.000 0.000 0.298 11 A C -0.010 177.503 177.584 -0.117 0.000 1.271 11 A CA -0.358 51.596 52.037 -0.139 0.000 0.926 11 A CB -0.370 18.499 19.000 -0.218 0.000 1.141 11 A HN 1.052 nan 8.150 nan 0.000 0.539 12 L N 3.299 124.478 121.223 -0.073 0.000 2.453 12 L HA 0.332 4.672 4.340 -0.000 0.000 0.272 12 L C -0.065 176.704 176.870 -0.168 0.000 1.182 12 L CA 0.437 55.221 54.840 -0.093 0.000 0.858 12 L CB 0.360 42.382 42.059 -0.061 0.000 1.120 12 L HN 0.633 nan 8.230 nan 0.000 0.474 13 L N 3.480 124.594 121.223 -0.182 0.000 2.416 13 L HA 0.450 4.790 4.340 -0.000 0.000 0.262 13 L C 0.225 176.927 176.870 -0.280 0.000 1.093 13 L CA -0.428 54.252 54.840 -0.266 0.000 0.801 13 L CB 1.150 43.075 42.059 -0.224 0.000 1.191 13 L HN 0.544 nan 8.230 nan 0.000 0.459 14 T N 1.946 116.263 114.554 -0.395 0.000 2.821 14 T HA 0.343 4.693 4.350 -0.000 0.000 0.307 14 T C -2.501 171.693 174.700 -0.843 0.000 1.034 14 T CA -1.224 60.553 62.100 -0.538 0.000 0.953 14 T CB 1.187 69.721 68.868 -0.557 0.000 0.968 14 T HN 0.220 nan 8.240 nan 0.000 0.462 15 P HA 0.373 nan 4.420 nan 0.000 0.271 15 P C -0.878 176.116 177.300 -0.511 0.000 1.216 15 P CA -0.294 62.540 63.100 -0.444 0.000 0.771 15 P CB 0.351 31.919 31.700 -0.221 0.000 0.864 16 F N 1.177 121.104 119.950 -0.039 0.000 2.579 16 F HA 0.354 4.881 4.527 0.000 0.000 0.324 16 F C 0.901 176.683 175.800 -0.029 0.000 1.058 16 F CA -0.715 57.268 58.000 -0.028 0.000 0.944 16 F CB 0.812 39.801 39.000 -0.018 0.000 1.245 16 F HN 0.270 nan 8.300 nan 0.000 0.477 17 D N -0.317 120.200 120.400 0.194 0.000 2.478 17 D HA 0.164 4.804 4.640 -0.000 0.000 0.274 17 D C 0.919 177.262 176.300 0.071 0.000 1.234 17 D CA -0.372 53.682 54.000 0.090 0.000 1.069 17 D CB 0.173 41.010 40.800 0.061 0.000 1.113 17 D HN 0.400 nan 8.370 nan 0.000 0.571 18 Q N -1.412 118.409 119.800 0.034 0.000 2.297 18 Q HA -0.161 4.179 4.340 -0.000 0.000 0.208 18 Q C 1.266 177.273 176.000 0.012 0.000 0.981 18 Q CA 1.729 57.543 55.803 0.018 0.000 0.876 18 Q CB -0.180 28.564 28.738 0.009 0.000 0.921 18 Q HN 0.443 nan 8.270 nan 0.000 0.446 19 Q N -0.336 119.472 119.800 0.013 0.000 2.320 19 Q HA 0.156 4.496 4.340 -0.000 0.000 0.201 19 Q C -0.327 175.654 176.000 -0.032 0.000 0.910 19 Q CA 0.206 56.007 55.803 -0.005 0.000 0.946 19 Q CB 0.618 29.356 28.738 0.000 0.000 1.062 19 Q HN 0.251 nan 8.270 nan 0.000 0.503 20 Q N -2.722 117.057 119.800 -0.035 0.000 2.429 20 Q HA -0.203 4.137 4.340 -0.000 0.000 0.232 20 Q C -0.379 175.505 176.000 -0.194 0.000 0.724 20 Q CA 0.968 56.667 55.803 -0.172 0.000 1.287 20 Q CB -2.132 26.471 28.738 -0.225 0.000 1.429 20 Q HN 0.416 nan 8.270 nan 0.000 0.721 21 A N 0.667 123.499 122.820 0.019 0.000 2.279 21 A HA 0.619 4.938 4.320 -0.000 0.000 0.303 21 A C 0.191 177.948 177.584 0.289 0.000 1.108 21 A CA -0.481 51.614 52.037 0.096 0.000 0.830 21 A CB 0.600 19.634 19.000 0.056 0.000 1.106 21 A HN 0.243 nan 8.150 nan 0.000 0.493 22 L N 0.951 122.345 121.223 0.284 0.000 2.540 22 L HA 0.112 4.452 4.340 -0.000 0.000 0.276 22 L C -0.122 176.806 176.870 0.098 0.000 1.212 22 L CA 0.517 55.486 54.840 0.214 0.000 0.893 22 L CB 0.147 42.272 42.059 0.110 0.000 1.138 22 L HN 0.638 nan 8.230 nan 0.000 0.491 23 D N 4.302 124.723 120.400 0.035 0.000 2.485 23 D HA 0.134 4.774 4.640 -0.000 0.000 0.221 23 D C 0.773 177.057 176.300 -0.027 0.000 1.112 23 D CA -0.180 53.824 54.000 0.006 0.000 0.911 23 D CB 0.673 41.469 40.800 -0.007 0.000 1.019 23 D HN 0.632 nan 8.370 nan 0.000 0.516 24 K N 1.907 122.299 120.400 -0.015 0.000 2.063 24 K HA -0.158 4.161 4.320 -0.000 0.000 0.208 24 K C 1.883 178.466 176.600 -0.028 0.000 1.048 24 K CA 1.420 57.691 56.287 -0.025 0.000 0.928 24 K CB 0.017 32.507 32.500 -0.017 0.000 0.713 24 K HN 0.401 nan 8.250 nan 0.000 0.442 25 A N 1.198 124.006 122.820 -0.020 0.000 1.908 25 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 25 A C 2.252 179.820 177.584 -0.026 0.000 1.181 25 A CA 2.001 54.027 52.037 -0.018 0.000 0.627 25 A CB -0.570 18.424 19.000 -0.011 0.000 0.818 25 A HN 0.193 nan 8.150 nan 0.000 0.445 26 S N -0.769 114.910 115.700 -0.035 0.000 2.406 26 S HA -0.079 4.391 4.470 -0.000 0.000 0.228 26 S C 1.826 176.390 174.600 -0.061 0.000 1.020 26 S CA 1.182 59.353 58.200 -0.049 0.000 0.965 26 S CB -0.348 62.817 63.200 -0.058 0.000 0.798 26 S HN 0.501 nan 8.310 nan 0.000 0.488 27 L N 2.388 123.569 121.223 -0.070 0.000 2.017 27 L HA -0.037 4.303 4.340 -0.000 0.000 0.208 27 L C 2.186 179.030 176.870 -0.043 0.000 1.073 27 L CA 1.738 56.532 54.840 -0.076 0.000 0.745 27 L CB -0.491 41.517 42.059 -0.085 0.000 0.894 27 L HN 0.115 nan 8.230 nan 0.000 0.432 28 R N -0.751 119.729 120.500 -0.033 0.000 2.091 28 R HA -0.137 4.203 4.340 -0.000 0.000 0.238 28 R C 2.387 178.688 176.300 0.001 0.000 1.136 28 R CA 1.635 57.723 56.100 -0.019 0.000 0.959 28 R CB -0.455 29.834 30.300 -0.019 0.000 0.856 28 R HN 0.402 nan 8.270 nan 0.000 0.437 29 R N 0.438 120.937 120.500 -0.002 0.000 2.096 29 R HA -0.128 4.212 4.340 -0.000 0.000 0.235 29 R C 2.283 178.616 176.300 0.055 0.000 1.127 29 R CA 1.064 57.174 56.100 0.016 0.000 0.968 29 R CB -0.388 29.902 30.300 -0.016 0.000 0.861 29 R HN 0.116 nan 8.270 nan 0.000 0.440 30 L N 0.603 121.842 121.223 0.027 0.000 2.093 30 L HA -0.101 4.238 4.340 -0.000 0.000 0.208 30 L C 1.992 178.933 176.870 0.118 0.000 1.085 30 L CA 1.433 56.318 54.840 0.074 0.000 0.755 30 L CB -0.196 41.865 42.059 0.004 0.000 0.904 30 L HN -0.113 nan 8.230 nan 0.000 0.435 31 V N -0.518 119.430 119.914 0.057 0.000 2.307 31 V HA -0.257 3.863 4.120 -0.000 0.000 0.245 31 V C 2.659 178.790 176.094 0.063 0.000 1.045 31 V CA 1.608 63.934 62.300 0.042 0.000 1.024 31 V CB -0.639 31.186 31.823 0.003 0.000 0.651 31 V HN 0.483 nan 8.190 nan 0.000 0.449 32 Q N -1.013 118.831 119.800 0.073 0.000 2.124 32 Q HA -0.170 4.170 4.340 -0.000 0.000 0.202 32 Q C 2.076 178.150 176.000 0.123 0.000 0.977 32 Q CA 1.633 57.481 55.803 0.075 0.000 0.850 32 Q CB -0.646 28.132 28.738 0.067 0.000 0.901 32 Q HN 0.642 nan 8.270 nan 0.000 0.429 33 F N 2.383 122.342 119.950 0.016 0.000 2.095 33 F HA -0.200 4.327 4.527 -0.000 0.000 0.298 33 F C 1.851 177.687 175.800 0.060 0.000 1.104 33 F CA 1.293 59.316 58.000 0.038 0.000 1.232 33 F CB -0.298 38.727 39.000 0.041 0.000 0.987 33 F HN 0.114 nan 8.300 nan 0.000 0.475 34 N N 0.735 119.477 118.700 0.069 0.000 2.120 34 N HA -0.180 4.560 4.740 -0.000 0.000 0.188 34 N C 2.125 177.611 175.510 -0.041 0.000 1.024 34 N CA 1.903 54.945 53.050 -0.014 0.000 0.852 34 N CB -0.374 38.148 38.487 0.059 0.000 1.003 34 N HN 0.359 nan 8.380 nan 0.000 0.424 35 I N 1.546 122.109 120.570 -0.013 0.000 2.286 35 I HA -0.241 3.929 4.170 -0.000 0.000 0.248 35 I C 2.225 178.318 176.117 -0.039 0.000 1.115 35 I CA 0.944 62.234 61.300 -0.017 0.000 1.392 35 I CB -0.171 37.825 38.000 -0.006 0.000 1.065 35 I HN 0.083 nan 8.210 nan 0.000 0.418 36 Q N 0.784 120.545 119.800 -0.065 0.000 2.224 36 Q HA -0.209 4.131 4.340 -0.000 0.000 0.203 36 Q C 1.863 177.788 176.000 -0.123 0.000 0.970 36 Q CA 1.199 56.950 55.803 -0.087 0.000 0.865 36 Q CB -0.318 28.372 28.738 -0.079 0.000 0.922 36 Q HN 0.717 nan 8.270 nan 0.000 0.445 37 Q N -0.861 118.843 119.800 -0.161 0.000 2.322 37 Q HA 0.279 4.619 4.340 -0.000 0.000 0.203 37 Q C 0.498 176.504 176.000 0.010 0.000 0.923 37 Q CA 0.482 56.237 55.803 -0.080 0.000 0.949 37 Q CB 0.116 28.849 28.738 -0.009 0.000 1.039 37 Q HN 0.243 nan 8.270 nan 0.000 0.496 38 G N 1.460 110.252 108.800 -0.013 0.000 2.160 38 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.244 38 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.244 38 G C -0.096 174.818 174.900 0.024 0.000 1.022 38 G CA 0.077 45.183 45.100 0.010 0.000 0.741 38 G HN 0.460 nan 8.290 nan 0.000 0.508 39 I N 0.422 121.004 120.570 0.020 0.000 2.836 39 I HA 0.281 4.451 4.170 -0.000 0.000 0.285 39 I C 1.205 177.346 176.117 0.040 0.000 1.174 39 I CA -0.228 61.093 61.300 0.035 0.000 1.405 39 I CB 0.662 38.688 38.000 0.043 0.000 1.385 39 I HN 0.135 nan 8.210 nan 0.000 0.594 40 D N 4.393 124.828 120.400 0.059 0.000 2.289 40 D HA 0.184 4.824 4.640 -0.000 0.000 0.207 40 D C 0.554 176.890 176.300 0.060 0.000 0.966 40 D CA 1.012 55.050 54.000 0.064 0.000 0.868 40 D CB 0.307 41.162 40.800 0.092 0.000 0.943 40 D HN 0.676 nan 8.370 nan 0.000 0.514 41 G N -0.710 108.127 108.800 0.061 0.000 2.430 41 G HA2 0.497 4.457 3.960 -0.000 0.000 0.300 41 G HA3 0.497 4.457 3.960 -0.000 0.000 0.300 41 G C -1.990 172.938 174.900 0.047 0.000 1.330 41 G CA -0.811 44.318 45.100 0.048 0.000 0.813 41 G HN 0.026 nan 8.290 nan 0.000 0.487 42 L N -0.112 121.137 121.223 0.043 0.000 2.401 42 L HA 0.515 4.855 4.340 -0.000 0.000 0.266 42 L C -1.463 175.463 176.870 0.094 0.000 0.991 42 L CA -0.967 53.903 54.840 0.050 0.000 0.818 42 L CB 2.665 44.743 42.059 0.032 0.000 1.321 42 L HN 0.632 nan 8.230 nan 0.000 0.413 43 Y N 3.097 123.348 120.300 -0.082 0.000 2.369 43 Y HA 0.577 5.127 4.550 0.000 0.000 0.337 43 Y C -0.730 175.131 175.900 -0.064 0.000 0.961 43 Y CA -0.620 57.419 58.100 -0.102 0.000 1.186 43 Y CB 1.148 39.465 38.460 -0.238 0.000 1.139 43 Y HN 0.216 nan 8.280 nan 0.000 0.494 44 V N 5.217 125.006 119.914 -0.208 0.000 2.513 44 V HA 0.614 4.734 4.120 -0.000 0.000 0.299 44 V C 0.680 176.625 176.094 -0.249 0.000 1.035 44 V CA -0.211 62.001 62.300 -0.147 0.000 0.889 44 V CB 1.157 33.003 31.823 0.038 0.000 0.988 44 V HN 1.013 nan 8.190 nan 0.000 0.440 45 G N 3.039 111.733 108.800 -0.176 0.000 2.132 45 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.234 45 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.234 45 G C 0.432 175.282 174.900 -0.084 0.000 0.989 45 G CA 0.102 45.117 45.100 -0.142 0.000 0.676 45 G HN 1.325 nan 8.290 nan 0.000 0.522 46 G N -0.521 108.188 108.800 -0.151 0.000 2.543 46 G HA2 0.587 4.547 3.960 -0.000 0.000 0.267 46 G HA3 0.587 4.547 3.960 -0.000 0.000 0.267 46 G C 1.319 176.120 174.900 -0.164 0.000 1.406 46 G CA 0.953 45.944 45.100 -0.181 0.000 1.048 46 G HN 0.644 nan 8.290 nan 0.000 0.548 47 S N -0.565 115.156 115.700 0.035 0.000 2.365 47 S HA -0.178 4.292 4.470 -0.000 0.000 0.225 47 S C 2.471 177.014 174.600 -0.096 0.000 1.039 47 S CA 2.089 60.392 58.200 0.172 0.000 1.033 47 S CB -0.616 62.795 63.200 0.353 0.000 0.887 47 S HN 0.599 nan 8.310 nan 0.000 0.447 48 T N 1.282 115.671 114.554 -0.276 0.000 2.881 48 T HA -0.034 4.316 4.350 -0.000 0.000 0.270 48 T C 1.731 175.983 174.700 -0.746 0.000 1.068 48 T CA 1.246 62.841 62.100 -0.841 0.000 1.131 48 T CB -0.490 68.128 68.868 -0.417 0.000 0.871 48 T HN 0.568 nan 8.240 nan 0.000 0.479 49 G N 0.378 108.942 108.800 -0.393 0.000 3.088 49 G HA2 0.152 4.112 3.960 -0.000 0.000 0.212 49 G HA3 0.152 4.112 3.960 -0.000 0.000 0.212 49 G C 0.175 174.950 174.900 -0.208 0.000 1.173 49 G CA -0.225 44.696 45.100 -0.298 0.000 0.779 49 G HN 0.566 nan 8.290 nan 0.000 0.540 50 E N -1.417 118.665 120.200 -0.195 0.000 2.476 50 E HA -0.305 4.045 4.350 -0.000 0.000 0.251 50 E C 1.733 178.355 176.600 0.038 0.000 1.130 50 E CA 0.053 56.487 56.400 0.057 0.000 0.736 50 E CB -1.371 28.468 29.700 0.230 0.000 1.298 50 E HN 0.518 nan 8.360 nan 0.000 0.400 51 A N -0.187 122.527 122.820 -0.176 0.000 1.978 51 A HA -0.147 4.173 4.320 -0.000 0.000 0.220 51 A C 1.436 178.878 177.584 -0.236 0.000 1.170 51 A CA 1.456 53.324 52.037 -0.281 0.000 0.636 51 A CB -0.375 18.326 19.000 -0.499 0.000 0.810 51 A HN 0.315 nan 8.150 nan 0.000 0.448 52 F N -0.548 119.518 119.950 0.193 0.000 2.802 52 F HA 0.103 4.630 4.527 -0.001 0.000 0.300 52 F C 1.427 177.321 175.800 0.156 0.000 1.168 52 F CA 0.694 58.814 58.000 0.199 0.000 1.433 52 F CB -0.054 39.079 39.000 0.222 0.000 1.115 52 F HN 0.144 nan 8.300 nan 0.000 0.582 53 V N -3.242 116.817 119.914 0.240 0.000 3.078 53 V HA 0.362 4.482 4.120 -0.000 0.000 0.344 53 V C -0.061 176.098 176.094 0.108 0.000 1.409 53 V CA -0.335 62.067 62.300 0.171 0.000 1.146 53 V CB -0.665 31.268 31.823 0.184 0.000 1.126 53 V HN 0.115 nan 8.190 nan 0.000 0.513 54 Q N 1.126 120.989 119.800 0.105 0.000 2.399 54 Q HA 0.676 5.016 4.340 -0.000 0.000 0.276 54 Q C -0.072 175.966 176.000 0.063 0.000 1.098 54 Q CA -0.316 55.534 55.803 0.077 0.000 0.827 54 Q CB 2.676 31.463 28.738 0.082 0.000 1.386 54 Q HN 0.638 nan 8.270 nan 0.000 0.443 55 S N 0.226 115.954 115.700 0.047 0.000 2.669 55 S HA 0.318 4.788 4.470 -0.000 0.000 0.270 55 S C 1.119 175.738 174.600 0.032 0.000 1.225 55 S CA -0.659 57.564 58.200 0.039 0.000 0.991 55 S CB 0.459 63.676 63.200 0.028 0.000 0.987 55 S HN 0.675 nan 8.310 nan 0.000 0.552 56 L N 1.196 122.435 121.223 0.025 0.000 2.046 56 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 56 L C 3.074 179.954 176.870 0.017 0.000 1.077 56 L CA 1.695 56.544 54.840 0.014 0.000 0.747 56 L CB -0.989 41.075 42.059 0.008 0.000 0.896 56 L HN 0.972 nan 8.230 nan 0.000 0.432 57 S N -0.670 115.043 115.700 0.022 0.000 2.399 57 S HA -0.201 4.269 4.470 -0.000 0.000 0.231 57 S C 1.676 176.294 174.600 0.031 0.000 1.022 57 S CA 1.145 59.362 58.200 0.028 0.000 0.983 57 S CB -0.370 62.844 63.200 0.025 0.000 0.803 57 S HN 0.484 nan 8.310 nan 0.000 0.480 58 E N 1.252 121.471 120.200 0.031 0.000 2.106 58 E HA -0.033 4.317 4.350 -0.000 0.000 0.192 58 E C 2.474 179.090 176.600 0.027 0.000 0.984 58 E CA 0.766 57.189 56.400 0.040 0.000 0.806 58 E CB -0.125 29.611 29.700 0.060 0.000 0.750 58 E HN 0.536 nan 8.360 nan 0.000 0.458 59 R N 0.909 121.418 120.500 0.014 0.000 2.092 59 R HA -0.108 4.232 4.340 -0.000 0.000 0.231 59 R C 2.164 178.460 176.300 -0.007 0.000 1.119 59 R CA 1.150 57.242 56.100 -0.013 0.000 0.970 59 R CB -0.081 30.199 30.300 -0.035 0.000 0.864 59 R HN 0.216 nan 8.270 nan 0.000 0.440 60 E N 0.544 120.761 120.200 0.029 0.000 2.106 60 E HA -0.246 4.104 4.350 -0.000 0.000 0.192 60 E C 2.043 178.667 176.600 0.041 0.000 0.984 60 E CA 0.881 57.344 56.400 0.104 0.000 0.806 60 E CB -0.008 29.781 29.700 0.148 0.000 0.750 60 E HN 0.352 nan 8.360 nan 0.000 0.458 61 Q N 0.834 120.638 119.800 0.007 0.000 2.084 61 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 61 Q C 2.230 178.188 176.000 -0.070 0.000 0.978 61 Q CA 1.366 57.147 55.803 -0.036 0.000 0.844 61 Q CB 0.143 28.877 28.738 -0.007 0.000 0.898 61 Q HN 0.125 nan 8.270 nan 0.000 0.426 62 V N 0.982 120.870 119.914 -0.044 0.000 2.307 62 V HA -0.279 3.841 4.120 -0.000 0.000 0.245 62 V C 2.351 178.424 176.094 -0.035 0.000 1.045 62 V CA 1.541 63.812 62.300 -0.049 0.000 1.024 62 V CB -0.522 31.271 31.823 -0.050 0.000 0.651 62 V HN 0.405 nan 8.190 nan 0.000 0.449 63 L N -0.129 121.080 121.223 -0.024 0.000 2.042 63 L HA -0.256 4.084 4.340 -0.000 0.000 0.210 63 L C 2.600 179.472 176.870 0.003 0.000 1.076 63 L CA 2.257 57.144 54.840 0.078 0.000 0.749 63 L CB -0.605 41.462 42.059 0.012 0.000 0.893 63 L HN 0.454 nan 8.230 nan 0.000 0.432 64 E N 0.741 120.664 120.200 -0.462 0.000 2.051 64 E HA -0.219 4.131 4.350 -0.000 0.000 0.192 64 E C 2.315 178.728 176.600 -0.312 0.000 0.991 64 E CA 1.165 57.091 56.400 -0.790 0.000 0.799 64 E CB -0.017 29.120 29.700 -0.937 0.000 0.748 64 E HN 0.446 nan 8.360 nan 0.000 0.449 65 I N 0.449 120.906 120.570 -0.189 0.000 2.226 65 I HA -0.245 3.925 4.170 -0.000 0.000 0.245 65 I C 2.342 178.408 176.117 -0.085 0.000 1.100 65 I CA 0.650 61.882 61.300 -0.113 0.000 1.374 65 I CB -0.116 37.836 38.000 -0.081 0.000 1.057 65 I HN 0.082 nan 8.210 nan 0.000 0.413 66 V N 1.088 120.970 119.914 -0.053 0.000 2.343 66 V HA -0.298 3.822 4.120 -0.000 0.000 0.247 66 V C 2.723 178.746 176.094 -0.118 0.000 1.051 66 V CA 1.965 64.238 62.300 -0.045 0.000 1.036 66 V CB -1.035 30.807 31.823 0.031 0.000 0.654 66 V HN 0.496 nan 8.190 nan 0.000 0.451 67 A N -0.107 122.622 122.820 -0.151 0.000 1.902 67 A HA -0.248 4.072 4.320 -0.000 0.000 0.217 67 A C 2.161 179.658 177.584 -0.146 0.000 1.181 67 A CA 1.890 53.781 52.037 -0.243 0.000 0.623 67 A CB -0.467 18.435 19.000 -0.164 0.000 0.818 67 A HN 0.647 nan 8.150 nan 0.000 0.443 68 E N -0.366 119.768 120.200 -0.109 0.000 2.110 68 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 68 E C 1.882 178.442 176.600 -0.067 0.000 0.988 68 E CA 1.196 57.550 56.400 -0.077 0.000 0.804 68 E CB -0.130 29.528 29.700 -0.070 0.000 0.745 68 E HN 0.567 nan 8.360 nan 0.000 0.458 69 E N -0.059 120.099 120.200 -0.071 0.000 2.112 69 E HA -0.037 4.313 4.350 -0.000 0.000 0.190 69 E C 1.532 178.097 176.600 -0.058 0.000 0.979 69 E CA 0.997 57.364 56.400 -0.054 0.000 0.814 69 E CB 0.232 29.906 29.700 -0.044 0.000 0.762 69 E HN 0.229 nan 8.360 nan 0.000 0.460 70 A N 0.575 123.342 122.820 -0.088 0.000 2.456 70 A HA 0.095 4.415 4.320 -0.000 0.000 0.237 70 A C 0.994 178.508 177.584 -0.115 0.000 1.217 70 A CA -0.328 51.655 52.037 -0.091 0.000 0.962 70 A CB 0.180 19.127 19.000 -0.089 0.000 1.079 70 A HN -0.024 nan 8.150 nan 0.000 0.536 71 K N 0.456 120.768 120.400 -0.147 0.000 2.491 71 K HA 0.270 4.589 4.320 -0.000 0.000 0.279 71 K C 1.259 177.808 176.600 -0.085 0.000 1.026 71 K CA 1.201 57.400 56.287 -0.146 0.000 1.070 71 K CB -0.134 32.283 32.500 -0.138 0.000 0.887 71 K HN 0.802 nan 8.250 nan 0.000 0.481 72 G N 3.917 112.674 108.800 -0.072 0.000 2.299 72 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.237 72 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.237 72 G C 0.913 175.793 174.900 -0.033 0.000 1.027 72 G CA 0.251 45.325 45.100 -0.042 0.000 0.619 72 G HN 0.613 nan 8.290 nan 0.000 0.513 73 K N 0.409 120.786 120.400 -0.039 0.000 2.128 73 K HA 0.347 4.667 4.320 -0.000 0.000 0.202 73 K C 1.595 178.183 176.600 -0.021 0.000 1.050 73 K CA 1.543 57.814 56.287 -0.027 0.000 0.966 73 K CB 0.063 32.546 32.500 -0.028 0.000 0.759 73 K HN 0.858 nan 8.250 nan 0.000 0.454 74 I N -2.154 118.398 120.570 -0.030 0.000 3.191 74 I HA 0.402 4.572 4.170 -0.000 0.000 0.313 74 I C -0.798 175.304 176.117 -0.024 0.000 1.193 74 I CA -1.336 59.956 61.300 -0.015 0.000 0.968 74 I CB 1.709 39.705 38.000 -0.008 0.000 1.262 74 I HN -0.367 nan 8.210 nan 0.000 0.456 75 K N 2.558 122.961 120.400 0.005 0.000 2.295 75 K HA 0.546 4.866 4.320 -0.000 0.000 0.270 75 K C -0.929 175.670 176.600 -0.003 0.000 1.011 75 K CA -0.158 56.138 56.287 0.014 0.000 0.953 75 K CB 0.982 33.519 32.500 0.062 0.000 0.956 75 K HN 0.544 nan 8.250 nan 0.000 0.477 76 L N 4.214 125.426 121.223 -0.019 0.000 2.376 76 L HA 0.500 4.840 4.340 -0.000 0.000 0.275 76 L C -0.286 176.727 176.870 0.239 0.000 0.987 76 L CA -0.587 54.243 54.840 -0.017 0.000 0.828 76 L CB 1.305 43.084 42.059 -0.467 0.000 1.249 76 L HN 0.396 nan 8.230 nan 0.000 0.409 77 I N 2.818 123.554 120.570 0.277 0.000 2.406 77 I HA 0.530 4.700 4.170 -0.000 0.000 0.290 77 I C 0.147 176.297 176.117 0.054 0.000 0.999 77 I CA -0.497 60.930 61.300 0.211 0.000 1.124 77 I CB 2.059 40.156 38.000 0.162 0.000 1.289 77 I HN 0.619 nan 8.210 nan 0.000 0.441 78 A N 5.837 128.585 122.820 -0.119 0.000 2.249 78 A HA 0.282 4.602 4.320 -0.000 0.000 0.314 78 A C -0.396 176.947 177.584 -0.403 0.000 1.290 78 A CA -0.400 51.341 52.037 -0.492 0.000 0.893 78 A CB 0.074 18.496 19.000 -0.962 0.000 1.165 78 A HN 0.803 nan 8.150 nan 0.000 0.530 79 H N 3.800 122.543 119.070 -0.545 0.000 2.864 79 H HA 0.278 4.834 4.556 -0.000 0.000 0.281 79 H C 0.472 175.672 175.328 -0.213 0.000 1.093 79 H CA 0.542 56.360 56.048 -0.384 0.000 1.453 79 H CB 1.216 30.711 29.762 -0.445 0.000 1.462 79 H HN 0.537 nan 8.280 nan 0.000 0.480 80 V N 2.633 122.179 119.914 -0.614 0.000 3.578 80 V HA 0.380 4.500 4.120 -0.000 0.000 0.290 80 V C 1.116 176.970 176.094 -0.401 0.000 1.376 80 V CA 0.115 62.161 62.300 -0.423 0.000 1.083 80 V CB -0.074 31.581 31.823 -0.280 0.000 0.911 80 V HN 0.673 nan 8.190 nan 0.000 0.433 81 G N -0.101 108.275 108.800 -0.708 0.000 2.340 81 G HA2 0.402 4.362 3.960 -0.000 0.000 0.245 81 G HA3 0.402 4.362 3.960 -0.000 0.000 0.245 81 G C -0.330 174.703 174.900 0.222 0.000 1.294 81 G CA 0.434 45.454 45.100 -0.134 0.000 0.896 81 G HN 0.542 nan 8.290 nan 0.000 0.522 82 C N 0.942 120.377 119.300 0.226 0.000 3.213 82 C HA 0.367 4.827 4.460 -0.000 0.000 0.319 82 C C 1.694 176.727 174.990 0.073 0.000 1.386 82 C CA -0.548 58.611 59.018 0.236 0.000 1.494 82 C CB 1.514 29.327 27.740 0.121 0.000 1.905 82 C HN 0.549 nan 8.230 nan 0.000 0.456 83 V N 1.171 121.016 119.914 -0.115 0.000 2.358 83 V HA -0.082 4.038 4.120 -0.000 0.000 0.246 83 V C 1.365 177.378 176.094 -0.135 0.000 1.047 83 V CA 2.000 64.137 62.300 -0.273 0.000 1.035 83 V CB -0.375 31.255 31.823 -0.322 0.000 0.658 83 V HN 0.885 nan 8.190 nan 0.000 0.452 84 S N -0.304 115.377 115.700 -0.032 0.000 2.531 84 S HA 0.037 4.507 4.470 -0.000 0.000 0.279 84 S C 1.338 175.969 174.600 0.051 0.000 1.305 84 S CA 0.170 58.366 58.200 -0.006 0.000 1.058 84 S CB 1.279 64.481 63.200 0.003 0.000 0.899 84 S HN 0.474 nan 8.310 nan 0.000 0.493 85 T N 5.193 119.772 114.554 0.041 0.000 2.812 85 T HA -0.022 4.328 4.350 -0.000 0.000 0.264 85 T C 2.157 176.809 174.700 -0.079 0.000 1.042 85 T CA 1.362 63.461 62.100 -0.001 0.000 1.140 85 T CB -0.600 68.255 68.868 -0.022 0.000 0.870 85 T HN 0.798 nan 8.240 nan 0.000 0.445 86 A N 1.807 124.595 122.820 -0.055 0.000 1.908 86 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 86 A C 2.199 179.750 177.584 -0.055 0.000 1.181 86 A CA 1.657 53.659 52.037 -0.058 0.000 0.627 86 A CB -0.539 18.435 19.000 -0.042 0.000 0.818 86 A HN 0.576 nan 8.150 nan 0.000 0.445 87 E N -0.141 120.037 120.200 -0.036 0.000 2.106 87 E HA -0.102 4.248 4.350 -0.000 0.000 0.192 87 E C 2.276 178.844 176.600 -0.054 0.000 0.984 87 E CA 1.217 57.598 56.400 -0.031 0.000 0.806 87 E CB -0.165 29.534 29.700 -0.002 0.000 0.750 87 E HN 0.592 nan 8.360 nan 0.000 0.458 88 S N 1.223 116.884 115.700 -0.066 0.000 2.382 88 S HA -0.186 4.284 4.470 -0.000 0.000 0.228 88 S C 1.931 176.444 174.600 -0.145 0.000 1.027 88 S CA 1.000 59.131 58.200 -0.116 0.000 0.991 88 S CB -0.152 62.949 63.200 -0.166 0.000 0.823 88 S HN 0.273 nan 8.310 nan 0.000 0.469 89 Q N 0.774 120.491 119.800 -0.138 0.000 2.119 89 Q HA -0.157 4.183 4.340 -0.000 0.000 0.201 89 Q C 2.401 178.335 176.000 -0.111 0.000 0.972 89 Q CA 1.135 56.861 55.803 -0.128 0.000 0.847 89 Q CB -0.176 28.494 28.738 -0.113 0.000 0.903 89 Q HN 0.600 nan 8.270 nan 0.000 0.433 90 Q N 0.750 120.493 119.800 -0.095 0.000 2.050 90 Q HA -0.164 4.176 4.340 -0.000 0.000 0.202 90 Q C 2.045 177.979 176.000 -0.110 0.000 0.980 90 Q CA 1.026 56.776 55.803 -0.088 0.000 0.840 90 Q CB 0.009 28.709 28.738 -0.064 0.000 0.898 90 Q HN 0.397 nan 8.270 nan 0.000 0.424 91 L N 0.164 121.318 121.223 -0.115 0.000 2.141 91 L HA -0.130 4.210 4.340 -0.000 0.000 0.209 91 L C 2.578 179.339 176.870 -0.181 0.000 1.094 91 L CA 0.810 55.565 54.840 -0.141 0.000 0.763 91 L CB -0.603 41.369 42.059 -0.146 0.000 0.908 91 L HN 0.288 nan 8.230 nan 0.000 0.437 92 A N 0.285 123.005 122.820 -0.166 0.000 1.877 92 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 92 A C 2.545 180.037 177.584 -0.154 0.000 1.186 92 A CA 1.764 53.706 52.037 -0.159 0.000 0.620 92 A CB -0.664 18.256 19.000 -0.133 0.000 0.822 92 A HN 0.389 nan 8.150 nan 0.000 0.443 93 A N -0.756 121.976 122.820 -0.147 0.000 1.933 93 A HA -0.042 4.278 4.320 -0.000 0.000 0.218 93 A C 2.427 179.877 177.584 -0.223 0.000 1.175 93 A CA 2.007 53.955 52.037 -0.148 0.000 0.628 93 A CB -0.751 18.175 19.000 -0.123 0.000 0.814 93 A HN 0.444 nan 8.150 nan 0.000 0.444 94 S N -0.196 115.334 115.700 -0.283 0.000 2.368 94 S HA -0.002 4.468 4.470 -0.000 0.000 0.224 94 S C 2.329 176.556 174.600 -0.623 0.000 1.029 94 S CA 1.059 58.940 58.200 -0.532 0.000 0.988 94 S CB -0.441 62.524 63.200 -0.392 0.000 0.838 94 S HN 0.792 nan 8.310 nan 0.000 0.462 95 A N 1.779 124.402 122.820 -0.328 0.000 1.908 95 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 95 A C 2.023 179.604 177.584 -0.005 0.000 1.181 95 A CA 1.958 53.865 52.037 -0.217 0.000 0.627 95 A CB -0.526 18.278 19.000 -0.326 0.000 0.818 95 A HN 0.495 nan 8.150 nan 0.000 0.445 96 K N -0.625 119.728 120.400 -0.078 0.000 2.057 96 K HA -0.135 4.184 4.320 -0.000 0.000 0.206 96 K C 2.311 178.895 176.600 -0.026 0.000 1.050 96 K CA 1.346 57.623 56.287 -0.017 0.000 0.935 96 K CB -0.200 32.273 32.500 -0.045 0.000 0.715 96 K HN 0.404 nan 8.250 nan 0.000 0.439 97 R N -0.602 119.807 120.500 -0.151 0.000 2.096 97 R HA -0.149 4.191 4.340 -0.000 0.000 0.235 97 R C 1.664 177.956 176.300 -0.014 0.000 1.127 97 R CA 1.616 57.623 56.100 -0.155 0.000 0.968 97 R CB -0.149 29.958 30.300 -0.321 0.000 0.861 97 R HN 0.271 nan 8.270 nan 0.000 0.440 98 Y N -0.928 119.442 120.300 0.117 0.000 2.561 98 Y HA 0.231 4.781 4.550 -0.001 0.000 0.291 98 Y C 1.510 177.485 175.900 0.125 0.000 1.141 98 Y CA 0.562 58.755 58.100 0.155 0.000 1.303 98 Y CB 0.049 38.683 38.460 0.290 0.000 1.015 98 Y HN 0.340 nan 8.280 nan 0.000 0.547 99 G N -0.886 108.067 108.800 0.254 0.000 2.140 99 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.211 99 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.211 99 G C -0.097 174.860 174.900 0.093 0.000 1.013 99 G CA -0.561 44.616 45.100 0.129 0.000 0.705 99 G HN 0.125 nan 8.290 nan 0.000 0.508 100 F N 0.729 120.709 119.950 0.051 0.000 2.444 100 F HA 0.325 4.852 4.527 -0.000 0.000 0.331 100 F C 1.660 177.474 175.800 0.023 0.000 1.167 100 F CA 0.223 58.243 58.000 0.034 0.000 1.262 100 F CB 0.567 39.582 39.000 0.025 0.000 1.196 100 F HN 0.039 nan 8.300 nan 0.000 0.583 101 D N 0.654 121.156 120.400 0.169 0.000 2.305 101 D HA 0.227 4.867 4.640 -0.000 0.000 0.206 101 D C 0.272 176.652 176.300 0.133 0.000 0.974 101 D CA 0.802 54.871 54.000 0.115 0.000 0.871 101 D CB 0.407 41.255 40.800 0.081 0.000 0.947 101 D HN 0.406 nan 8.370 nan 0.000 0.516 102 A N 0.109 123.034 122.820 0.175 0.000 2.586 102 A HA 0.529 4.849 4.320 -0.000 0.000 0.290 102 A C -0.989 176.656 177.584 0.102 0.000 1.086 102 A CA -0.676 51.440 52.037 0.132 0.000 0.665 102 A CB 1.228 20.315 19.000 0.144 0.000 1.279 102 A HN -0.048 nan 8.150 nan 0.000 0.423 103 V N -1.965 117.985 119.914 0.059 0.000 3.113 103 V HA 1.009 5.129 4.120 -0.000 0.000 0.316 103 V C -0.101 176.028 176.094 0.059 0.000 1.125 103 V CA -0.242 62.053 62.300 -0.008 0.000 1.026 103 V CB 1.521 33.317 31.823 -0.045 0.000 1.080 103 V HN 1.778 nan 8.190 nan 0.000 0.444 104 S N 0.263 115.985 115.700 0.037 0.000 2.550 104 S HA 0.896 5.365 4.470 -0.000 0.000 0.270 104 S C -0.972 173.749 174.600 0.202 0.000 1.145 104 S CA 0.089 58.419 58.200 0.217 0.000 0.852 104 S CB 1.681 65.098 63.200 0.361 0.000 1.119 104 S HN 2.305 nan 8.310 nan 0.000 0.465 105 A N 2.291 125.380 122.820 0.449 0.000 2.437 105 A HA 0.686 5.006 4.320 -0.000 0.000 0.293 105 A C -0.582 177.437 177.584 0.725 0.000 1.038 105 A CA -0.512 51.770 52.037 0.408 0.000 0.708 105 A CB 1.305 20.383 19.000 0.130 0.000 1.251 105 A HN 1.183 nan 8.150 nan 0.000 0.409 106 V N 2.718 123.168 119.914 0.892 0.000 2.924 106 V HA 0.481 4.601 4.120 -0.000 0.000 0.305 106 V C 0.990 177.332 176.094 0.413 0.000 1.073 106 V CA 0.663 63.292 62.300 0.549 0.000 1.098 106 V CB 1.287 33.333 31.823 0.371 0.000 1.000 106 V HN 1.343 nan 8.190 nan 0.000 0.484 107 T N 6.353 121.100 114.554 0.322 0.000 2.871 107 T HA 0.200 4.550 4.350 -0.000 0.000 0.296 107 T C -2.364 172.515 174.700 0.298 0.000 0.998 107 T CA -0.936 61.332 62.100 0.281 0.000 1.162 107 T CB 0.469 69.409 68.868 0.119 0.000 0.947 107 T HN 0.736 nan 8.240 nan 0.000 0.536 108 P HA 0.127 nan 4.420 nan 0.000 0.264 108 P C -0.407 177.087 177.300 0.324 0.000 1.183 108 P CA -0.178 62.919 63.100 -0.005 0.000 0.763 108 P CB 0.170 31.534 31.700 -0.560 0.000 0.807 109 F N 1.543 121.614 119.950 0.202 0.000 2.629 109 F HA 0.530 5.057 4.527 -0.000 0.000 0.386 109 F C 1.618 177.516 175.800 0.164 0.000 1.135 109 F CA -1.306 56.786 58.000 0.153 0.000 1.116 109 F CB -0.463 38.536 39.000 -0.002 0.000 1.426 109 F HN 0.425 nan 8.300 nan 0.000 0.501 110 Y N -1.183 119.206 120.300 0.149 0.000 2.739 110 Y HA -0.381 4.169 4.550 0.001 0.000 0.479 110 Y C -0.420 175.320 175.900 -0.266 0.000 1.139 110 Y CA 1.514 59.538 58.100 -0.127 0.000 2.846 110 Y CB -1.778 36.473 38.460 -0.348 0.000 1.043 110 Y HN 0.527 nan 8.280 nan 0.000 0.581 111 Y N 3.664 123.893 120.300 -0.118 0.000 2.346 111 Y HA 0.397 4.947 4.550 -0.001 0.000 0.330 111 Y C -1.983 173.467 175.900 -0.750 0.000 1.178 111 Y CA -2.244 55.550 58.100 -0.511 0.000 1.331 111 Y CB -0.106 37.900 38.460 -0.757 0.000 1.253 111 Y HN -0.021 nan 8.280 nan 0.000 0.529 112 P HA 0.146 nan 4.420 nan 0.000 0.280 112 P C -1.192 175.884 177.300 -0.374 0.000 1.300 112 P CA 0.065 63.008 63.100 -0.261 0.000 0.785 112 P CB 0.048 31.665 31.700 -0.138 0.000 0.874 113 F N 0.814 120.780 119.950 0.027 0.000 2.458 113 F HA 0.391 4.917 4.527 -0.001 0.000 0.330 113 F C 1.334 177.124 175.800 -0.016 0.000 1.082 113 F CA -0.608 57.321 58.000 -0.119 0.000 0.995 113 F CB 1.092 39.817 39.000 -0.458 0.000 1.170 113 F HN 0.176 nan 8.300 nan 0.000 0.478 114 S N 1.922 117.734 115.700 0.186 0.000 2.608 114 S HA 0.104 4.574 4.470 -0.000 0.000 0.261 114 S C 0.861 175.647 174.600 0.309 0.000 1.314 114 S CA -0.433 57.893 58.200 0.211 0.000 0.992 114 S CB 0.329 63.614 63.200 0.142 0.000 0.935 114 S HN 0.593 nan 8.310 nan 0.000 0.564 115 F N 1.049 121.129 119.950 0.218 0.000 2.171 115 F HA -0.016 4.511 4.527 0.000 0.000 0.300 115 F C 2.412 178.333 175.800 0.202 0.000 1.090 115 F CA 1.909 60.063 58.000 0.257 0.000 1.293 115 F CB -0.582 38.515 39.000 0.162 0.000 1.013 115 F HN 0.943 nan 8.300 nan 0.000 0.486 116 E N 0.108 120.334 120.200 0.043 0.000 2.110 116 E HA -0.244 4.106 4.350 -0.000 0.000 0.193 116 E C 1.997 178.537 176.600 -0.099 0.000 0.988 116 E CA 1.651 58.007 56.400 -0.072 0.000 0.804 116 E CB -0.183 29.532 29.700 0.025 0.000 0.745 116 E HN 0.604 nan 8.360 nan 0.000 0.458 117 E N -0.582 119.579 120.200 -0.064 0.000 2.106 117 E HA -0.175 4.174 4.350 -0.000 0.000 0.192 117 E C 2.168 178.644 176.600 -0.206 0.000 0.984 117 E CA 0.767 57.085 56.400 -0.137 0.000 0.806 117 E CB -0.089 29.534 29.700 -0.129 0.000 0.750 117 E HN 0.417 nan 8.360 nan 0.000 0.458 118 H N -0.065 118.949 119.070 -0.093 0.000 2.353 118 H HA -0.086 4.470 4.556 -0.000 0.000 0.300 118 H C 2.367 177.703 175.328 0.013 0.000 1.090 118 H CA 1.124 57.142 56.048 -0.050 0.000 1.327 118 H CB -0.363 29.440 29.762 0.068 0.000 1.383 118 H HN 0.273 nan 8.280 nan 0.000 0.508 119 C N 0.911 120.165 119.300 -0.077 0.000 2.432 119 C HA -0.119 4.341 4.460 -0.000 0.000 0.277 119 C C 2.434 177.440 174.990 0.026 0.000 1.249 119 C CA 0.863 59.839 59.018 -0.071 0.000 1.725 119 C CB -0.553 27.016 27.740 -0.285 0.000 2.028 119 C HN 0.549 nan 8.230 nan 0.000 0.477 120 D N -0.831 119.552 120.400 -0.028 0.000 2.178 120 D HA -0.119 4.521 4.640 -0.000 0.000 0.201 120 D C 1.746 178.033 176.300 -0.021 0.000 0.980 120 D CA 1.322 55.307 54.000 -0.026 0.000 0.842 120 D CB -0.580 40.190 40.800 -0.050 0.000 0.948 120 D HN 0.663 nan 8.370 nan 0.000 0.472 121 H N -0.513 118.468 119.070 -0.148 0.000 2.321 121 H HA -0.156 4.399 4.556 -0.000 0.000 0.300 121 H C 1.683 176.891 175.328 -0.201 0.000 1.087 121 H CA 1.694 57.601 56.048 -0.235 0.000 1.319 121 H CB -0.293 29.252 29.762 -0.362 0.000 1.379 121 H HN 0.111 nan 8.280 nan 0.000 0.501 122 Y N 0.536 120.829 120.300 -0.011 0.000 2.181 122 Y HA -0.116 4.434 4.550 0.000 0.000 0.288 122 Y C 2.776 178.628 175.900 -0.081 0.000 1.146 122 Y CA 1.515 59.584 58.100 -0.050 0.000 1.164 122 Y CB -0.204 38.272 38.460 0.028 0.000 0.982 122 Y HN 0.145 nan 8.280 nan 0.000 0.515 123 R N -0.377 120.171 120.500 0.081 0.000 2.091 123 R HA -0.185 4.155 4.340 -0.000 0.000 0.238 123 R C 2.496 178.777 176.300 -0.033 0.000 1.136 123 R CA 1.260 57.373 56.100 0.021 0.000 0.959 123 R CB -0.659 29.645 30.300 0.007 0.000 0.856 123 R HN 0.329 nan 8.270 nan 0.000 0.437 124 A N 1.092 123.862 122.820 -0.083 0.000 1.902 124 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 124 A C 2.142 179.645 177.584 -0.135 0.000 1.181 124 A CA 1.208 53.177 52.037 -0.113 0.000 0.623 124 A CB -0.420 18.493 19.000 -0.144 0.000 0.818 124 A HN 0.187 nan 8.150 nan 0.000 0.443 125 I N -0.472 119.983 120.570 -0.191 0.000 2.315 125 I HA -0.208 3.962 4.170 -0.000 0.000 0.248 125 I C 2.204 178.271 176.117 -0.084 0.000 1.117 125 I CA 1.037 62.231 61.300 -0.176 0.000 1.404 125 I CB -0.298 37.554 38.000 -0.246 0.000 1.071 125 I HN 0.274 nan 8.210 nan 0.000 0.419 126 I N 0.608 121.157 120.570 -0.035 0.000 2.286 126 I HA -0.326 3.844 4.170 -0.000 0.000 0.248 126 I C 2.399 178.503 176.117 -0.022 0.000 1.115 126 I CA 1.406 62.704 61.300 -0.004 0.000 1.392 126 I CB -0.462 37.553 38.000 0.025 0.000 1.065 126 I HN 0.353 nan 8.210 nan 0.000 0.418 127 D N 0.665 121.044 120.400 -0.035 0.000 2.097 127 D HA -0.161 4.479 4.640 -0.000 0.000 0.195 127 D C 2.115 178.389 176.300 -0.044 0.000 0.989 127 D CA 1.515 55.493 54.000 -0.036 0.000 0.827 127 D CB 0.189 40.964 40.800 -0.041 0.000 0.966 127 D HN 0.200 nan 8.370 nan 0.000 0.456 128 S N -0.149 115.514 115.700 -0.062 0.000 2.481 128 S HA 0.030 4.500 4.470 -0.000 0.000 0.231 128 S C 1.889 176.449 174.600 -0.067 0.000 0.996 128 S CA 0.656 58.814 58.200 -0.070 0.000 0.942 128 S CB 0.109 63.255 63.200 -0.091 0.000 0.768 128 S HN 0.421 nan 8.310 nan 0.000 0.520 129 A N 1.178 123.965 122.820 -0.055 0.000 2.119 129 A HA 0.080 4.400 4.320 -0.000 0.000 0.216 129 A C 0.812 178.379 177.584 -0.027 0.000 1.152 129 A CA 0.525 52.536 52.037 -0.044 0.000 0.708 129 A CB -0.390 18.595 19.000 -0.026 0.000 0.805 129 A HN 0.365 nan 8.150 nan 0.000 0.460 130 D N -2.009 118.375 120.400 -0.026 0.000 2.810 130 D HA -0.092 4.548 4.640 -0.000 0.000 0.224 130 D C 1.031 177.328 176.300 -0.006 0.000 1.222 130 D CA 1.917 55.906 54.000 -0.018 0.000 0.698 130 D CB -1.351 39.433 40.800 -0.025 0.000 0.961 130 D HN 1.180 nan 8.370 nan 0.000 0.403 131 G N -0.590 108.210 108.800 0.001 0.000 2.376 131 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.208 131 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.208 131 G C 0.104 175.016 174.900 0.020 0.000 1.032 131 G CA -0.102 45.004 45.100 0.010 0.000 0.641 131 G HN 0.482 nan 8.290 nan 0.000 0.503 132 L N 3.552 124.788 121.223 0.023 0.000 2.410 132 L HA 0.445 4.785 4.340 -0.000 0.000 0.273 132 L C -1.679 175.217 176.870 0.043 0.000 1.144 132 L CA -1.181 53.684 54.840 0.040 0.000 0.863 132 L CB 0.280 42.366 42.059 0.045 0.000 1.140 132 L HN 0.021 nan 8.230 nan 0.000 0.463 133 P HA 0.114 nan 4.420 nan 0.000 0.269 133 P C -0.603 176.741 177.300 0.073 0.000 1.209 133 P CA -0.363 62.771 63.100 0.057 0.000 0.776 133 P CB 0.533 32.271 31.700 0.064 0.000 0.876 134 M N 3.728 123.371 119.600 0.072 0.000 2.264 134 M HA 0.330 4.810 4.480 -0.000 0.000 0.352 134 M C -1.466 174.903 176.300 0.115 0.000 1.173 134 M CA -0.339 55.021 55.300 0.100 0.000 1.075 134 M CB 0.967 33.631 32.600 0.106 0.000 1.621 134 M HN -0.039 nan 8.290 nan 0.000 0.457 135 V N 6.363 126.380 119.914 0.172 0.000 2.311 135 V HA 0.349 4.469 4.120 -0.000 0.000 0.275 135 V C -0.295 175.936 176.094 0.228 0.000 1.022 135 V CA -0.909 61.513 62.300 0.203 0.000 0.830 135 V CB 0.853 32.843 31.823 0.280 0.000 1.012 135 V HN 0.757 nan 8.190 nan 0.000 0.452 136 V N 5.142 125.124 119.914 0.114 0.000 2.763 136 V HA 0.061 4.181 4.120 -0.000 0.000 0.306 136 V C -0.263 175.997 176.094 0.278 0.000 1.059 136 V CA 0.071 62.413 62.300 0.068 0.000 1.138 136 V CB 0.572 32.282 31.823 -0.188 0.000 0.940 136 V HN 0.723 nan 8.190 nan 0.000 0.489 137 Y N 5.172 125.618 120.300 0.243 0.000 2.376 137 Y HA 0.457 5.007 4.550 -0.000 0.000 0.326 137 Y C -0.217 175.787 175.900 0.173 0.000 0.970 137 Y CA -2.121 56.109 58.100 0.217 0.000 1.248 137 Y CB 1.133 39.788 38.460 0.325 0.000 1.117 137 Y HN 0.746 nan 8.280 nan 0.000 0.476 138 N N 6.464 125.363 118.700 0.332 0.000 2.457 138 N HA 0.338 5.078 4.740 -0.000 0.000 0.250 138 N C -1.330 174.198 175.510 0.030 0.000 0.982 138 N CA -0.153 52.966 53.050 0.115 0.000 0.941 138 N CB 0.433 38.977 38.487 0.096 0.000 1.120 138 N HN 0.724 nan 8.380 nan 0.000 0.505 139 I N 5.973 126.469 120.570 -0.123 0.000 2.854 139 I HA 0.348 4.518 4.170 -0.000 0.000 0.280 139 I C -1.849 174.207 176.117 -0.101 0.000 1.482 139 I CA -1.854 59.354 61.300 -0.153 0.000 0.884 139 I CB 1.389 39.175 38.000 -0.356 0.000 1.600 139 I HN 0.445 nan 8.210 nan 0.000 0.585 140 P HA -0.211 nan 4.420 nan 0.000 0.217 140 P C 1.416 178.715 177.300 -0.002 0.000 1.148 140 P CA 1.755 64.852 63.100 -0.005 0.000 0.828 140 P CB 0.227 31.941 31.700 0.022 0.000 0.783 141 A N -0.067 122.774 122.820 0.035 0.000 1.940 141 A HA -0.142 4.178 4.320 -0.000 0.000 0.219 141 A C 2.395 179.971 177.584 -0.013 0.000 1.176 141 A CA 1.596 53.660 52.037 0.045 0.000 0.631 141 A CB -1.330 17.754 19.000 0.141 0.000 0.814 141 A HN 0.193 nan 8.150 nan 0.000 0.446 142 L N -0.800 120.386 121.223 -0.062 0.000 2.316 142 L HA -0.010 4.330 4.340 -0.000 0.000 0.207 142 L C 2.800 179.532 176.870 -0.230 0.000 1.070 142 L CA 1.103 55.860 54.840 -0.138 0.000 0.820 142 L CB -0.300 41.669 42.059 -0.151 0.000 0.992 142 L HN 0.540 nan 8.230 nan 0.000 0.466 143 S N -0.362 115.215 115.700 -0.204 0.000 2.436 143 S HA 0.041 4.511 4.470 -0.000 0.000 0.228 143 S C 1.701 176.289 174.600 -0.019 0.000 1.014 143 S CA 0.744 58.852 58.200 -0.154 0.000 0.950 143 S CB 0.184 63.345 63.200 -0.065 0.000 0.784 143 S HN 0.506 nan 8.310 nan 0.000 0.504 144 G N 0.289 109.074 108.800 -0.025 0.000 2.179 144 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.260 144 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.260 144 G C 0.032 174.949 174.900 0.028 0.000 0.977 144 G CA 0.135 45.234 45.100 -0.001 0.000 0.641 144 G HN 0.810 nan 8.290 nan 0.000 0.533 145 V N 1.431 121.370 119.914 0.041 0.000 2.364 145 V HA 0.408 4.528 4.120 -0.000 0.000 0.272 145 V C 0.422 176.529 176.094 0.021 0.000 1.036 145 V CA -0.287 62.045 62.300 0.052 0.000 0.880 145 V CB 1.336 33.189 31.823 0.050 0.000 0.991 145 V HN 0.296 nan 8.190 nan 0.000 0.460 146 K N 6.429 126.844 120.400 0.024 0.000 2.334 146 K HA 0.585 4.905 4.320 -0.000 0.000 0.265 146 K C -0.946 175.654 176.600 0.001 0.000 1.039 146 K CA -0.365 55.929 56.287 0.012 0.000 0.920 146 K CB 1.385 33.892 32.500 0.011 0.000 1.160 146 K HN 0.522 nan 8.250 nan 0.000 0.451 147 L N 2.331 123.548 121.223 -0.011 0.000 2.343 147 L HA 0.329 4.669 4.340 -0.000 0.000 0.275 147 L C 0.996 177.827 176.870 -0.065 0.000 1.056 147 L CA -0.741 54.074 54.840 -0.041 0.000 0.804 147 L CB 1.422 43.471 42.059 -0.017 0.000 1.203 147 L HN 0.665 nan 8.230 nan 0.000 0.440 148 T N -1.210 113.273 114.554 -0.119 0.000 2.847 148 T HA 0.184 4.534 4.350 -0.000 0.000 0.279 148 T C 0.892 175.527 174.700 -0.109 0.000 0.984 148 T CA -0.720 61.314 62.100 -0.110 0.000 0.988 148 T CB 1.208 69.997 68.868 -0.132 0.000 1.040 148 T HN 0.464 nan 8.240 nan 0.000 0.528 149 L N 0.611 121.778 121.223 -0.094 0.000 2.042 149 L HA -0.034 4.306 4.340 -0.000 0.000 0.210 149 L C 2.022 178.851 176.870 -0.068 0.000 1.076 149 L CA 1.968 56.760 54.840 -0.079 0.000 0.749 149 L CB -1.134 40.864 42.059 -0.101 0.000 0.893 149 L HN 0.713 nan 8.230 nan 0.000 0.432 150 D N -0.730 119.614 120.400 -0.093 0.000 2.123 150 D HA -0.221 4.419 4.640 -0.000 0.000 0.196 150 D C 2.172 178.393 176.300 -0.132 0.000 0.992 150 D CA 1.446 55.394 54.000 -0.088 0.000 0.833 150 D CB -0.075 40.666 40.800 -0.099 0.000 0.954 150 D HN 0.571 nan 8.370 nan 0.000 0.455 151 Q N -0.029 119.600 119.800 -0.285 0.000 2.079 151 Q HA -0.039 4.301 4.340 -0.000 0.000 0.200 151 Q C 2.506 178.469 176.000 -0.062 0.000 0.974 151 Q CA 0.626 56.109 55.803 -0.533 0.000 0.840 151 Q CB 0.077 28.252 28.738 -0.939 0.000 0.898 151 Q HN 0.344 nan 8.270 nan 0.000 0.430 152 I N 1.176 121.725 120.570 -0.035 0.000 2.226 152 I HA -0.273 3.897 4.170 -0.000 0.000 0.245 152 I C 1.761 177.903 176.117 0.042 0.000 1.100 152 I CA 0.709 62.024 61.300 0.025 0.000 1.374 152 I CB -0.322 37.681 38.000 0.005 0.000 1.057 152 I HN 0.230 nan 8.210 nan 0.000 0.413 153 N N 0.469 119.216 118.700 0.078 0.000 2.104 153 N HA -0.148 4.592 4.740 -0.000 0.000 0.190 153 N C 1.850 177.435 175.510 0.124 0.000 1.024 153 N CA 1.778 54.932 53.050 0.174 0.000 0.853 153 N CB -0.613 37.984 38.487 0.184 0.000 1.008 153 N HN 0.299 nan 8.380 nan 0.000 0.424 154 T N 1.793 116.433 114.554 0.144 0.000 2.777 154 T HA 0.027 4.377 4.350 -0.000 0.000 0.266 154 T C 2.128 176.917 174.700 0.149 0.000 1.040 154 T CA 0.568 62.784 62.100 0.194 0.000 1.141 154 T CB -0.162 68.923 68.868 0.361 0.000 0.868 154 T HN 0.134 nan 8.240 nan 0.000 0.444 155 L N 1.385 122.704 121.223 0.160 0.000 2.046 155 L HA -0.061 4.279 4.340 -0.000 0.000 0.208 155 L C 2.680 179.488 176.870 -0.104 0.000 1.077 155 L CA 1.065 55.906 54.840 0.002 0.000 0.747 155 L CB -0.729 41.308 42.059 -0.037 0.000 0.896 155 L HN 0.254 nan 8.230 nan 0.000 0.432 156 V N -3.876 115.962 119.914 -0.127 0.000 3.305 156 V HA -0.072 4.048 4.120 -0.000 0.000 0.269 156 V C 1.901 177.892 176.094 -0.172 0.000 1.157 156 V CA 1.504 63.680 62.300 -0.207 0.000 1.157 156 V CB -1.132 30.471 31.823 -0.366 0.000 0.772 156 V HN 0.578 nan 8.190 nan 0.000 0.498 157 T N -2.305 112.200 114.554 -0.081 0.000 3.069 157 T HA 0.405 4.755 4.350 -0.000 0.000 0.252 157 T C 0.500 175.201 174.700 0.001 0.000 1.053 157 T CA -0.288 61.803 62.100 -0.015 0.000 0.964 157 T CB -0.359 68.546 68.868 0.061 0.000 1.005 157 T HN 0.395 nan 8.240 nan 0.000 0.532 158 L N 2.200 123.415 121.223 -0.013 0.000 2.456 158 L HA 0.291 4.631 4.340 -0.000 0.000 0.272 158 L C -2.163 174.707 176.870 -0.001 0.000 1.189 158 L CA -2.044 52.795 54.840 -0.001 0.000 0.846 158 L CB 0.055 42.108 42.059 -0.009 0.000 1.111 158 L HN -0.019 nan 8.230 nan 0.000 0.475 159 P HA 0.060 nan 4.420 nan 0.000 0.264 159 P C 0.641 177.947 177.300 0.010 0.000 1.193 159 P CA 0.698 63.804 63.100 0.009 0.000 0.763 159 P CB 0.794 32.500 31.700 0.010 0.000 0.810 160 G N 1.298 110.104 108.800 0.010 0.000 2.213 160 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.236 160 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.236 160 G C 0.018 174.928 174.900 0.017 0.000 0.991 160 G CA -0.251 44.858 45.100 0.015 0.000 0.629 160 G HN 0.525 nan 8.290 nan 0.000 0.517 161 V N 1.308 121.223 119.914 0.002 0.000 2.461 161 V HA 0.618 4.738 4.120 -0.000 0.000 0.275 161 V C 1.387 177.476 176.094 -0.009 0.000 1.047 161 V CA 0.862 63.157 62.300 -0.009 0.000 0.955 161 V CB 1.376 33.166 31.823 -0.055 0.000 0.988 161 V HN 0.657 nan 8.190 nan 0.000 0.471 162 G N 3.008 111.815 108.800 0.012 0.000 3.228 162 G HA2 0.651 4.611 3.960 -0.000 0.000 0.245 162 G HA3 0.651 4.611 3.960 -0.000 0.000 0.245 162 G C 0.164 175.063 174.900 -0.002 0.000 1.051 162 G CA 0.712 45.818 45.100 0.009 0.000 0.809 162 G HN 1.038 nan 8.290 nan 0.000 0.531 163 A N -0.677 122.148 122.820 0.007 0.000 2.566 163 A HA 0.706 5.026 4.320 -0.000 0.000 0.290 163 A C -2.415 175.182 177.584 0.022 0.000 1.071 163 A CA -0.592 51.440 52.037 -0.008 0.000 0.658 163 A CB 1.264 20.299 19.000 0.060 0.000 1.285 163 A HN 0.763 nan 8.150 nan 0.000 0.427 164 L N 0.298 121.529 121.223 0.014 0.000 2.438 164 L HA 0.644 4.984 4.340 -0.000 0.000 0.270 164 L C -0.465 176.495 176.870 0.149 0.000 0.972 164 L CA -0.236 54.638 54.840 0.058 0.000 0.831 164 L CB 1.737 43.789 42.059 -0.011 0.000 1.273 164 L HN 0.699 nan 8.230 nan 0.000 0.405 165 K N 3.662 124.167 120.400 0.174 0.000 2.267 165 K HA 0.316 4.636 4.320 -0.000 0.000 0.282 165 K C -0.698 175.971 176.600 0.116 0.000 1.078 165 K CA -0.444 55.906 56.287 0.104 0.000 0.903 165 K CB 0.871 33.209 32.500 -0.269 0.000 1.111 165 K HN 0.706 nan 8.250 nan 0.000 0.475 166 Q N 3.205 123.057 119.800 0.087 0.000 2.571 166 Q HA 0.137 4.477 4.340 -0.000 0.000 0.222 166 Q C -1.172 174.839 176.000 0.018 0.000 1.167 166 Q CA -0.084 55.761 55.803 0.070 0.000 0.966 166 Q CB 0.872 29.645 28.738 0.058 0.000 1.274 166 Q HN 0.443 nan 8.270 nan 0.000 0.552 167 T N 2.390 116.938 114.554 -0.010 0.000 3.579 167 T HA 0.370 4.720 4.350 -0.000 0.000 0.328 167 T C -0.842 173.754 174.700 -0.174 0.000 1.481 167 T CA -0.120 61.824 62.100 -0.259 0.000 1.144 167 T CB -0.164 68.537 68.868 -0.279 0.000 1.205 167 T HN 0.416 nan 8.240 nan 0.000 0.812 168 S N 0.635 116.369 115.700 0.057 0.000 2.536 168 S HA 0.605 5.075 4.470 -0.000 0.000 0.271 168 S C 0.964 175.784 174.600 0.366 0.000 1.134 168 S CA -0.569 57.791 58.200 0.267 0.000 0.897 168 S CB 1.506 64.789 63.200 0.139 0.000 1.094 168 S HN 0.470 nan 8.310 nan 0.000 0.473 169 G N 1.475 110.472 108.800 0.329 0.000 3.141 169 G HA2 0.130 4.090 3.960 -0.000 0.000 0.218 169 G HA3 0.130 4.090 3.960 -0.000 0.000 0.218 169 G C 0.028 175.000 174.900 0.119 0.000 1.170 169 G CA -0.145 45.067 45.100 0.186 0.000 0.769 169 G HN 0.677 nan 8.290 nan 0.000 0.546 170 D N 1.102 121.575 120.400 0.121 0.000 2.402 170 D HA 0.141 4.781 4.640 -0.000 0.000 0.235 170 D C 1.401 177.767 176.300 0.110 0.000 1.226 170 D CA -0.326 53.736 54.000 0.104 0.000 0.918 170 D CB 0.501 41.354 40.800 0.087 0.000 1.043 170 D HN 0.077 nan 8.370 nan 0.000 0.506 171 L N 3.607 124.899 121.223 0.115 0.000 2.599 171 L HA -0.075 4.265 4.340 -0.000 0.000 0.230 171 L C 1.554 178.521 176.870 0.160 0.000 1.141 171 L CA 0.092 54.998 54.840 0.110 0.000 0.877 171 L CB -0.300 41.809 42.059 0.084 0.000 1.009 171 L HN 0.444 nan 8.230 nan 0.000 0.447 172 Y N 1.183 121.495 120.300 0.020 0.000 2.206 172 Y HA -0.206 4.344 4.550 -0.000 0.000 0.292 172 Y C 2.554 178.463 175.900 0.016 0.000 1.123 172 Y CA 1.436 59.544 58.100 0.013 0.000 1.142 172 Y CB -0.383 38.084 38.460 0.010 0.000 1.006 172 Y HN 0.167 nan 8.280 nan 0.000 0.518 173 Q N -0.504 119.280 119.800 -0.027 0.000 2.124 173 Q HA -0.241 4.099 4.340 -0.000 0.000 0.202 173 Q C 2.290 178.265 176.000 -0.041 0.000 0.977 173 Q CA 1.962 57.685 55.803 -0.132 0.000 0.850 173 Q CB -0.180 28.516 28.738 -0.070 0.000 0.901 173 Q HN 0.524 nan 8.270 nan 0.000 0.429 174 M N 0.741 120.356 119.600 0.024 0.000 2.108 174 M HA -0.199 4.281 4.480 -0.000 0.000 0.261 174 M C 1.880 178.196 176.300 0.027 0.000 1.066 174 M CA 1.727 57.046 55.300 0.032 0.000 1.107 174 M CB -0.243 32.385 32.600 0.047 0.000 1.356 174 M HN 0.165 nan 8.290 nan 0.000 0.406 175 E N -0.194 120.036 120.200 0.048 0.000 2.072 175 E HA -0.221 4.129 4.350 -0.000 0.000 0.191 175 E C 1.913 178.527 176.600 0.023 0.000 0.985 175 E CA 1.589 58.020 56.400 0.052 0.000 0.801 175 E CB -0.244 29.520 29.700 0.107 0.000 0.750 175 E HN 0.735 nan 8.360 nan 0.000 0.452 176 Q N 0.066 119.854 119.800 -0.021 0.000 2.124 176 Q HA -0.108 4.232 4.340 -0.000 0.000 0.202 176 Q C 2.462 178.436 176.000 -0.043 0.000 0.977 176 Q CA 1.450 57.209 55.803 -0.073 0.000 0.850 176 Q CB -0.080 28.530 28.738 -0.213 0.000 0.901 176 Q HN 0.355 nan 8.270 nan 0.000 0.429 177 I N 0.324 120.892 120.570 -0.003 0.000 2.226 177 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 177 I C 2.530 178.705 176.117 0.097 0.000 1.100 177 I CA 0.942 62.295 61.300 0.088 0.000 1.374 177 I CB -0.158 37.891 38.000 0.081 0.000 1.057 177 I HN 0.103 nan 8.210 nan 0.000 0.413 178 R N 1.572 122.097 120.500 0.042 0.000 2.081 178 R HA -0.193 4.147 4.340 -0.000 0.000 0.235 178 R C 2.284 178.584 176.300 0.000 0.000 1.131 178 R CA 1.716 57.833 56.100 0.028 0.000 0.960 178 R CB -0.589 29.717 30.300 0.010 0.000 0.856 178 R HN 0.198 nan 8.270 nan 0.000 0.436 179 R N -0.120 120.368 120.500 -0.020 0.000 2.081 179 R HA -0.135 4.205 4.340 -0.000 0.000 0.235 179 R C 1.963 178.202 176.300 -0.101 0.000 1.131 179 R CA 1.918 57.993 56.100 -0.042 0.000 0.960 179 R CB -0.273 30.011 30.300 -0.028 0.000 0.856 179 R HN 0.306 nan 8.270 nan 0.000 0.436 180 E N -0.370 119.721 120.200 -0.182 0.000 2.158 180 E HA -0.104 4.246 4.350 -0.000 0.000 0.191 180 E C -0.275 175.964 176.600 -0.602 0.000 0.982 180 E CA 1.025 57.181 56.400 -0.407 0.000 0.823 180 E CB 0.311 29.686 29.700 -0.543 0.000 0.766 180 E HN 0.451 nan 8.360 nan 0.000 0.468 181 H N -0.012 119.046 119.070 -0.019 0.000 2.423 181 H HA 0.174 4.730 4.556 0.000 0.000 0.237 181 H C -1.960 173.354 175.328 -0.023 0.000 1.391 181 H CA -1.640 54.396 56.048 -0.020 0.000 1.453 181 H CB 1.127 30.875 29.762 -0.023 0.000 1.484 181 H HN 0.195 nan 8.280 nan 0.000 0.505 182 P HA -0.156 nan 4.420 nan 0.000 0.218 182 P C 0.505 177.818 177.300 0.020 0.000 1.146 182 P CA 1.196 64.306 63.100 0.018 0.000 0.813 182 P CB 0.594 32.294 31.700 0.001 0.000 0.778 183 D N -0.939 119.481 120.400 0.033 0.000 2.369 183 D HA 0.080 4.720 4.640 -0.000 0.000 0.211 183 D C 0.843 177.144 176.300 0.002 0.000 1.077 183 D CA -0.255 53.754 54.000 0.015 0.000 0.842 183 D CB 0.012 40.822 40.800 0.017 0.000 0.947 183 D HN 0.164 nan 8.370 nan 0.000 0.509 184 L N 1.837 123.069 121.223 0.015 0.000 2.455 184 L HA 0.049 4.389 4.340 -0.000 0.000 0.272 184 L C -0.231 176.588 176.870 -0.085 0.000 1.174 184 L CA -0.100 54.721 54.840 -0.032 0.000 0.869 184 L CB 1.017 43.059 42.059 -0.028 0.000 1.130 184 L HN -0.299 nan 8.230 nan 0.000 0.474 185 V N 6.778 126.612 119.914 -0.134 0.000 2.470 185 V HA 0.146 4.266 4.120 -0.000 0.000 0.276 185 V C -0.005 175.884 176.094 -0.342 0.000 1.040 185 V CA -0.188 61.957 62.300 -0.257 0.000 1.008 185 V CB 0.846 32.497 31.823 -0.287 0.000 0.990 185 V HN 0.598 nan 8.190 nan 0.000 0.477 186 L N 7.686 128.696 121.223 -0.354 0.000 2.377 186 L HA 0.524 4.864 4.340 -0.000 0.000 0.270 186 L C -1.005 175.720 176.870 -0.241 0.000 0.991 186 L CA -0.286 54.405 54.840 -0.248 0.000 0.851 186 L CB 1.121 43.115 42.059 -0.108 0.000 1.218 186 L HN 0.509 nan 8.230 nan 0.000 0.420 187 Y N 2.993 123.284 120.300 -0.015 0.000 2.350 187 Y HA 0.326 4.877 4.550 0.000 0.000 0.340 187 Y C 0.769 176.662 175.900 -0.012 0.000 1.006 187 Y CA -0.359 57.733 58.100 -0.013 0.000 1.166 187 Y CB 0.626 39.042 38.460 -0.074 0.000 1.168 187 Y HN 0.654 nan 8.280 nan 0.000 0.502 188 N N 1.447 120.262 118.700 0.190 0.000 2.475 188 N HA 0.172 4.912 4.740 -0.000 0.000 0.267 188 N C 0.985 176.572 175.510 0.128 0.000 1.169 188 N CA 0.440 53.578 53.050 0.147 0.000 0.947 188 N CB 0.849 39.429 38.487 0.156 0.000 1.061 188 N HN 0.882 nan 8.380 nan 0.000 0.466 189 G N 2.040 110.856 108.800 0.026 0.000 2.796 189 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.210 189 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.210 189 G C -0.483 174.308 174.900 -0.182 0.000 1.146 189 G CA 0.158 45.176 45.100 -0.136 0.000 0.779 189 G HN 0.533 nan 8.290 nan 0.000 0.535 190 Y N 1.987 122.340 120.300 0.088 0.000 2.434 190 Y HA 0.296 4.846 4.550 -0.000 0.000 0.341 190 Y C 0.671 176.657 175.900 0.144 0.000 0.965 190 Y CA -1.779 56.373 58.100 0.087 0.000 1.205 190 Y CB 1.370 39.880 38.460 0.084 0.000 1.121 190 Y HN -0.006 nan 8.280 nan 0.000 0.507 191 D N 0.966 121.524 120.400 0.263 0.000 2.158 191 D HA -0.231 4.409 4.640 -0.000 0.000 0.197 191 D C 1.762 178.284 176.300 0.371 0.000 0.995 191 D CA 1.608 55.769 54.000 0.269 0.000 0.846 191 D CB 0.067 40.962 40.800 0.159 0.000 0.941 191 D HN 0.695 nan 8.370 nan 0.000 0.456 192 E N 1.122 121.489 120.200 0.279 0.000 2.463 192 E HA -0.147 4.203 4.350 -0.000 0.000 0.201 192 E C 1.708 178.427 176.600 0.198 0.000 1.045 192 E CA 0.555 57.079 56.400 0.207 0.000 0.872 192 E CB -0.473 29.295 29.700 0.114 0.000 0.797 192 E HN 0.572 nan 8.360 nan 0.000 0.538 193 I N -4.599 116.123 120.570 0.253 0.000 3.994 193 I HA 0.289 4.459 4.170 -0.000 0.000 0.323 193 I C 1.308 177.575 176.117 0.250 0.000 1.501 193 I CA -0.758 60.665 61.300 0.205 0.000 1.112 193 I CB -0.252 37.840 38.000 0.153 0.000 1.254 193 I HN -0.254 nan 8.210 nan 0.000 0.495 194 F N 3.217 123.279 119.950 0.186 0.000 2.045 194 F HA -0.346 4.181 4.527 -0.000 0.000 0.297 194 F C 2.532 178.413 175.800 0.135 0.000 1.114 194 F CA 2.736 60.851 58.000 0.192 0.000 1.207 194 F CB -0.257 38.931 39.000 0.313 0.000 0.964 194 F HN 0.241 nan 8.300 nan 0.000 0.486 195 A N -0.777 122.164 122.820 0.201 0.000 1.892 195 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 195 A C 2.359 179.925 177.584 -0.028 0.000 1.188 195 A CA 2.369 54.433 52.037 0.044 0.000 0.631 195 A CB -1.382 17.681 19.000 0.105 0.000 0.822 195 A HN 0.471 nan 8.150 nan 0.000 0.447 196 S N -0.626 115.087 115.700 0.021 0.000 2.402 196 S HA -0.014 4.456 4.470 -0.000 0.000 0.229 196 S C 2.019 176.612 174.600 -0.011 0.000 1.021 196 S CA 0.952 59.159 58.200 0.012 0.000 0.974 196 S CB -0.529 62.695 63.200 0.039 0.000 0.800 196 S HN 0.788 nan 8.310 nan 0.000 0.484 197 G N 1.680 110.466 108.800 -0.023 0.000 2.402 197 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.216 197 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.216 197 G C 1.318 176.152 174.900 -0.109 0.000 1.162 197 G CA 0.463 45.540 45.100 -0.038 0.000 0.777 197 G HN 0.424 nan 8.290 nan 0.000 0.539 198 L N -0.381 120.707 121.223 -0.225 0.000 2.056 198 L HA -0.011 4.329 4.340 -0.000 0.000 0.207 198 L C 2.685 179.488 176.870 -0.112 0.000 1.078 198 L CA 0.486 55.191 54.840 -0.225 0.000 0.749 198 L CB -0.442 41.416 42.059 -0.336 0.000 0.901 198 L HN 0.214 nan 8.230 nan 0.000 0.433 199 L N 0.365 121.538 121.223 -0.082 0.000 2.079 199 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 199 L C 2.532 179.388 176.870 -0.022 0.000 1.081 199 L CA 1.956 56.772 54.840 -0.040 0.000 0.752 199 L CB -0.647 41.398 42.059 -0.023 0.000 0.896 199 L HN 0.154 nan 8.230 nan 0.000 0.433 200 A N -1.687 121.123 122.820 -0.017 0.000 2.066 200 A HA 0.324 4.644 4.320 -0.000 0.000 0.218 200 A C 1.898 179.484 177.584 0.003 0.000 1.157 200 A CA 1.222 53.264 52.037 0.007 0.000 0.670 200 A CB -0.507 18.509 19.000 0.026 0.000 0.804 200 A HN 0.695 nan 8.150 nan 0.000 0.453 201 G N -2.903 105.885 108.800 -0.020 0.000 3.246 201 G HA2 0.313 4.273 3.960 -0.000 0.000 0.218 201 G HA3 0.313 4.273 3.960 -0.000 0.000 0.218 201 G C 0.405 175.282 174.900 -0.038 0.000 0.978 201 G CA 0.060 45.148 45.100 -0.020 0.000 0.825 201 G HN 1.221 nan 8.290 nan 0.000 0.546 202 A N 1.174 123.962 122.820 -0.053 0.000 2.483 202 A HA 0.498 4.818 4.320 -0.000 0.000 0.238 202 A C 0.915 178.445 177.584 -0.090 0.000 1.070 202 A CA 1.098 53.094 52.037 -0.069 0.000 0.770 202 A CB 0.246 19.204 19.000 -0.070 0.000 1.008 202 A HN 0.678 nan 8.150 nan 0.000 0.497 203 D N 0.040 120.386 120.400 -0.090 0.000 2.462 203 D HA 0.446 5.085 4.640 -0.000 0.000 0.221 203 D C 0.380 176.662 176.300 -0.030 0.000 1.173 203 D CA 0.546 54.504 54.000 -0.071 0.000 0.831 203 D CB 0.038 40.795 40.800 -0.071 0.000 1.001 203 D HN 0.902 nan 8.370 nan 0.000 0.499 204 G N -1.800 107.005 108.800 0.008 0.000 2.335 204 G HA2 0.570 4.530 3.960 -0.000 0.000 0.291 204 G HA3 0.570 4.530 3.960 -0.000 0.000 0.291 204 G C -1.055 174.062 174.900 0.362 0.000 1.261 204 G CA -0.344 44.874 45.100 0.196 0.000 0.871 204 G HN 0.607 nan 8.290 nan 0.000 0.491 205 G N -1.323 107.826 108.800 0.583 0.000 2.601 205 G HA2 0.631 4.591 3.960 -0.000 0.000 0.291 205 G HA3 0.631 4.591 3.960 -0.000 0.000 0.291 205 G C -1.881 173.213 174.900 0.323 0.000 1.456 205 G CA -0.579 44.860 45.100 0.565 0.000 0.804 205 G HN 0.823 nan 8.290 nan 0.000 0.499 206 I N 0.524 121.054 120.570 -0.067 0.000 2.499 206 I HA 0.692 4.862 4.170 -0.000 0.000 0.288 206 I C 0.239 175.874 176.117 -0.803 0.000 1.048 206 I CA -0.578 60.415 61.300 -0.513 0.000 1.062 206 I CB 2.412 39.949 38.000 -0.773 0.000 1.238 206 I HN 0.841 nan 8.210 nan 0.000 0.426 207 G N 2.074 109.988 108.800 -1.478 0.000 2.720 207 G HA2 0.366 4.326 3.960 -0.000 0.000 0.295 207 G HA3 0.366 4.326 3.960 -0.000 0.000 0.295 207 G C 0.239 174.586 174.900 -0.922 0.000 1.437 207 G CA -0.109 44.226 45.100 -1.274 0.000 0.886 207 G HN 0.590 nan 8.290 nan 0.000 0.509 208 S N -0.718 114.731 115.700 -0.418 0.000 2.436 208 S HA -0.118 4.352 4.470 -0.000 0.000 0.228 208 S C 2.216 176.758 174.600 -0.097 0.000 1.014 208 S CA 1.962 60.044 58.200 -0.196 0.000 0.950 208 S CB -0.445 62.743 63.200 -0.020 0.000 0.784 208 S HN 1.205 nan 8.310 nan 0.000 0.504 209 T N -1.760 112.759 114.554 -0.058 0.000 3.072 209 T HA 0.037 4.387 4.350 -0.000 0.000 0.266 209 T C 1.320 176.126 174.700 0.177 0.000 1.127 209 T CA 0.285 62.436 62.100 0.085 0.000 1.107 209 T CB -0.737 68.227 68.868 0.159 0.000 0.910 209 T HN 0.355 nan 8.240 nan 0.000 0.513 210 Y N 2.463 122.661 120.300 -0.169 0.000 2.403 210 Y HA 0.059 4.609 4.550 0.000 0.000 0.291 210 Y C 2.386 178.245 175.900 -0.069 0.000 1.143 210 Y CA -0.527 57.476 58.100 -0.163 0.000 1.257 210 Y CB -1.075 37.237 38.460 -0.247 0.000 0.984 210 Y HN 0.354 nan 8.280 nan 0.000 0.550 211 N N 0.667 119.443 118.700 0.127 0.000 2.205 211 N HA -0.142 4.598 4.740 -0.000 0.000 0.186 211 N C 1.701 177.356 175.510 0.241 0.000 1.015 211 N CA 1.917 55.058 53.050 0.152 0.000 0.862 211 N CB -0.162 38.385 38.487 0.101 0.000 0.986 211 N HN 0.557 nan 8.380 nan 0.000 0.429 212 I N -2.471 118.192 120.570 0.156 0.000 4.070 212 I HA 0.242 4.412 4.170 -0.000 0.000 0.328 212 I C 1.004 177.056 176.117 -0.109 0.000 1.298 212 I CA 0.176 61.588 61.300 0.186 0.000 1.173 212 I CB 0.210 38.295 38.000 0.143 0.000 1.051 212 I HN -0.087 nan 8.210 nan 0.000 0.409 213 M N -0.604 118.760 119.600 -0.393 0.000 4.752 213 M HA 0.515 4.995 4.480 -0.000 0.000 0.582 213 M C 0.799 176.543 176.300 -0.926 0.000 2.135 213 M CA -0.126 54.447 55.300 -1.213 0.000 0.515 213 M CB -0.045 32.066 32.600 -0.814 0.000 1.472 213 M HN -0.066 nan 8.290 nan 0.000 0.624 214 G N 1.596 110.132 108.800 -0.440 0.000 2.475 214 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.220 214 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.220 214 G C 0.892 175.673 174.900 -0.198 0.000 1.125 214 G CA 1.453 46.435 45.100 -0.197 0.000 0.755 214 G HN 0.955 nan 8.290 nan 0.000 0.565 215 W N 0.747 121.999 121.300 -0.080 0.000 2.392 215 W HA 0.115 4.775 4.660 -0.000 0.000 0.279 215 W C 2.272 178.715 176.519 -0.127 0.000 1.225 215 W CA 0.515 57.803 57.345 -0.095 0.000 1.233 215 W CB -0.280 29.129 29.460 -0.085 0.000 1.122 215 W HN 0.033 nan 8.180 nan 0.000 0.561 216 R N -0.445 119.714 120.500 -0.568 0.000 2.075 216 R HA -0.128 4.212 4.340 -0.000 0.000 0.232 216 R C 2.086 178.093 176.300 -0.488 0.000 1.126 216 R CA 1.831 57.638 56.100 -0.488 0.000 0.963 216 R CB -0.925 28.931 30.300 -0.739 0.000 0.858 216 R HN 0.268 nan 8.270 nan 0.000 0.435 217 Y N 0.938 120.958 120.300 -0.467 0.000 2.242 217 Y HA -0.135 4.415 4.550 0.000 0.000 0.291 217 Y C 2.602 178.336 175.900 -0.277 0.000 1.137 217 Y CA 0.914 58.639 58.100 -0.626 0.000 1.181 217 Y CB -0.135 37.541 38.460 -1.306 0.000 0.989 217 Y HN -0.013 nan 8.280 nan 0.000 0.527 218 Q N -0.421 119.336 119.800 -0.072 0.000 2.167 218 Q HA -0.095 4.245 4.340 -0.000 0.000 0.202 218 Q C 2.557 178.592 176.000 0.058 0.000 0.970 218 Q CA 1.315 57.135 55.803 0.029 0.000 0.855 218 Q CB -0.759 28.002 28.738 0.039 0.000 0.911 218 Q HN 0.611 nan 8.270 nan 0.000 0.438 219 G N 0.766 109.583 108.800 0.027 0.000 2.408 219 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.217 219 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.217 219 G C 1.547 176.478 174.900 0.051 0.000 1.150 219 G CA 0.308 45.431 45.100 0.040 0.000 0.776 219 G HN 0.272 nan 8.290 nan 0.000 0.542 220 I N 0.338 120.950 120.570 0.070 0.000 2.252 220 I HA -0.128 4.042 4.170 -0.000 0.000 0.245 220 I C 2.732 178.948 176.117 0.165 0.000 1.102 220 I CA 0.335 61.719 61.300 0.140 0.000 1.385 220 I CB -0.200 37.966 38.000 0.277 0.000 1.064 220 I HN 0.010 nan 8.210 nan 0.000 0.414 221 V N 1.133 121.179 119.914 0.221 0.000 2.287 221 V HA -0.334 3.786 4.120 -0.000 0.000 0.248 221 V C 2.548 178.693 176.094 0.086 0.000 1.053 221 V CA 2.077 64.472 62.300 0.158 0.000 1.027 221 V CB -0.662 31.270 31.823 0.183 0.000 0.646 221 V HN 0.417 nan 8.190 nan 0.000 0.447 222 K N -0.021 120.425 120.400 0.077 0.000 2.057 222 K HA -0.144 4.176 4.320 -0.000 0.000 0.206 222 K C 2.225 178.850 176.600 0.040 0.000 1.050 222 K CA 1.422 57.739 56.287 0.051 0.000 0.935 222 K CB -0.336 32.191 32.500 0.046 0.000 0.715 222 K HN 0.414 nan 8.250 nan 0.000 0.439 223 A N 1.411 124.257 122.820 0.044 0.000 1.883 223 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 223 A C 2.108 179.708 177.584 0.027 0.000 1.186 223 A CA 1.445 53.502 52.037 0.033 0.000 0.624 223 A CB -0.692 18.328 19.000 0.034 0.000 0.822 223 A HN 0.330 nan 8.150 nan 0.000 0.444 224 L N -0.962 120.279 121.223 0.031 0.000 2.141 224 L HA -0.157 4.183 4.340 -0.000 0.000 0.209 224 L C 2.612 179.490 176.870 0.013 0.000 1.094 224 L CA 1.718 56.568 54.840 0.017 0.000 0.763 224 L CB -0.403 41.660 42.059 0.008 0.000 0.908 224 L HN 0.454 nan 8.230 nan 0.000 0.437 225 K N 0.604 121.016 120.400 0.019 0.000 2.097 225 K HA -0.162 4.158 4.320 -0.000 0.000 0.205 225 K C 1.545 178.153 176.600 0.013 0.000 1.050 225 K CA 1.288 57.584 56.287 0.015 0.000 0.938 225 K CB 0.153 32.666 32.500 0.021 0.000 0.718 225 K HN 0.354 nan 8.250 nan 0.000 0.442 226 E N -1.027 119.182 120.200 0.015 0.000 2.479 226 E HA 0.062 4.412 4.350 -0.000 0.000 0.193 226 E C 0.428 177.034 176.600 0.010 0.000 1.049 226 E CA 0.326 56.734 56.400 0.012 0.000 0.870 226 E CB 0.594 30.303 29.700 0.014 0.000 0.944 226 E HN 0.536 nan 8.360 nan 0.000 0.492 227 G N 2.702 111.508 108.800 0.010 0.000 2.160 227 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.244 227 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.244 227 G C -0.132 174.773 174.900 0.009 0.000 1.022 227 G CA 0.312 45.417 45.100 0.008 0.000 0.741 227 G HN 0.273 nan 8.290 nan 0.000 0.508 228 D N 0.331 120.738 120.400 0.012 0.000 2.564 228 D HA 0.396 5.036 4.640 -0.000 0.000 0.226 228 D C 1.869 178.177 176.300 0.013 0.000 1.149 228 D CA -0.679 53.328 54.000 0.012 0.000 0.994 228 D CB -0.424 40.384 40.800 0.014 0.000 1.029 228 D HN 0.330 nan 8.370 nan 0.000 0.517 229 I N 1.084 121.660 120.570 0.011 0.000 2.264 229 I HA -0.294 3.875 4.170 -0.000 0.000 0.248 229 I C 2.252 178.377 176.117 0.013 0.000 1.111 229 I CA 0.739 62.046 61.300 0.012 0.000 1.382 229 I CB 0.017 38.023 38.000 0.009 0.000 1.060 229 I HN 0.302 nan 8.210 nan 0.000 0.418 230 Q N 0.291 120.098 119.800 0.011 0.000 2.061 230 Q HA -0.184 4.156 4.340 -0.000 0.000 0.204 230 Q C 2.306 178.312 176.000 0.011 0.000 0.984 230 Q CA 2.107 57.916 55.803 0.010 0.000 0.846 230 Q CB -0.847 27.896 28.738 0.008 0.000 0.902 230 Q HN 0.478 nan 8.270 nan 0.000 0.421 231 T N 1.368 115.930 114.554 0.012 0.000 2.777 231 T HA -0.060 4.290 4.350 -0.000 0.000 0.266 231 T C 1.876 176.585 174.700 0.014 0.000 1.040 231 T CA 1.287 63.395 62.100 0.013 0.000 1.141 231 T CB -0.230 68.647 68.868 0.015 0.000 0.868 231 T HN 0.419 nan 8.240 nan 0.000 0.444 232 A N 1.485 124.317 122.820 0.020 0.000 1.877 232 A HA -0.183 4.137 4.320 -0.000 0.000 0.216 232 A C 2.287 179.887 177.584 0.026 0.000 1.186 232 A CA 1.559 53.613 52.037 0.030 0.000 0.620 232 A CB -0.641 18.381 19.000 0.035 0.000 0.822 232 A HN 0.537 nan 8.150 nan 0.000 0.443 233 Q N -0.854 118.958 119.800 0.021 0.000 2.079 233 Q HA -0.164 4.176 4.340 -0.000 0.000 0.200 233 Q C 2.212 178.218 176.000 0.010 0.000 0.974 233 Q CA 1.342 57.156 55.803 0.019 0.000 0.840 233 Q CB -0.193 28.554 28.738 0.016 0.000 0.898 233 Q HN 0.468 nan 8.270 nan 0.000 0.430 234 K N 1.319 121.722 120.400 0.005 0.000 2.063 234 K HA -0.135 4.185 4.320 -0.000 0.000 0.208 234 K C 1.942 178.532 176.600 -0.016 0.000 1.048 234 K CA 1.182 57.469 56.287 -0.001 0.000 0.928 234 K CB -0.313 32.188 32.500 0.002 0.000 0.713 234 K HN 0.227 nan 8.250 nan 0.000 0.442 235 L N 0.598 121.806 121.223 -0.026 0.000 2.056 235 L HA -0.193 4.147 4.340 -0.000 0.000 0.207 235 L C 2.769 179.576 176.870 -0.104 0.000 1.078 235 L CA 1.288 56.084 54.840 -0.074 0.000 0.749 235 L CB -0.397 41.612 42.059 -0.083 0.000 0.901 235 L HN 0.212 nan 8.230 nan 0.000 0.433 236 Q N -0.195 119.578 119.800 -0.045 0.000 2.084 236 Q HA -0.167 4.173 4.340 -0.000 0.000 0.202 236 Q C 2.067 178.060 176.000 -0.012 0.000 0.978 236 Q CA 2.272 58.067 55.803 -0.014 0.000 0.844 236 Q CB -0.304 28.468 28.738 0.057 0.000 0.898 236 Q HN 0.327 nan 8.270 nan 0.000 0.426 237 T N 0.982 115.532 114.554 -0.007 0.000 2.684 237 T HA -0.134 4.216 4.350 -0.000 0.000 0.267 237 T C 1.377 176.068 174.700 -0.014 0.000 1.036 237 T CA 1.436 63.534 62.100 -0.002 0.000 1.148 237 T CB -0.195 68.674 68.868 0.002 0.000 0.863 237 T HN 0.309 nan 8.240 nan 0.000 0.436 238 E N 0.531 120.711 120.200 -0.034 0.000 2.110 238 E HA -0.072 4.278 4.350 -0.000 0.000 0.193 238 E C 2.554 179.118 176.600 -0.060 0.000 0.988 238 E CA 0.621 56.997 56.400 -0.040 0.000 0.804 238 E CB -0.672 29.000 29.700 -0.045 0.000 0.745 238 E HN 0.500 nan 8.360 nan 0.000 0.458 239 C N 1.330 120.566 119.300 -0.107 0.000 2.425 239 C HA -0.079 4.381 4.460 -0.000 0.000 0.277 239 C C 2.328 177.317 174.990 -0.002 0.000 1.280 239 C CA 0.579 59.532 59.018 -0.109 0.000 1.744 239 C CB -1.075 26.537 27.740 -0.213 0.000 1.989 239 C HN 0.401 nan 8.230 nan 0.000 0.491 240 N N 0.832 119.539 118.700 0.012 0.000 2.331 240 N HA -0.064 4.676 4.740 -0.000 0.000 0.180 240 N C 1.671 177.193 175.510 0.020 0.000 1.019 240 N CA 0.898 53.968 53.050 0.033 0.000 0.881 240 N CB -0.303 38.206 38.487 0.035 0.000 0.972 240 N HN 0.564 nan 8.380 nan 0.000 0.435 241 K N 0.103 120.510 120.400 0.010 0.000 2.097 241 K HA -0.005 4.315 4.320 -0.000 0.000 0.206 241 K C 1.755 178.363 176.600 0.014 0.000 1.049 241 K CA 0.742 57.036 56.287 0.012 0.000 0.933 241 K CB -0.038 32.468 32.500 0.010 0.000 0.717 241 K HN -0.020 nan 8.250 nan 0.000 0.442 242 V N 1.656 121.578 119.914 0.013 0.000 2.307 242 V HA -0.217 3.903 4.120 -0.000 0.000 0.245 242 V C 2.137 178.244 176.094 0.021 0.000 1.045 242 V CA 1.544 63.855 62.300 0.018 0.000 1.024 242 V CB -0.336 31.496 31.823 0.014 0.000 0.651 242 V HN 0.260 nan 8.190 nan 0.000 0.449 243 I N 0.161 120.751 120.570 0.035 0.000 2.286 243 I HA -0.238 3.932 4.170 -0.000 0.000 0.248 243 I C 2.255 178.377 176.117 0.009 0.000 1.115 243 I CA 1.464 62.787 61.300 0.038 0.000 1.392 243 I CB -0.503 37.538 38.000 0.069 0.000 1.065 243 I HN 0.313 nan 8.210 nan 0.000 0.418 244 D N 0.770 121.173 120.400 0.006 0.000 2.116 244 D HA -0.207 4.433 4.640 -0.000 0.000 0.193 244 D C 1.982 178.264 176.300 -0.030 0.000 0.998 244 D CA 1.257 55.253 54.000 -0.007 0.000 0.836 244 D CB -0.352 40.449 40.800 0.003 0.000 0.951 244 D HN 0.169 nan 8.370 nan 0.000 0.449 245 L N 0.500 121.706 121.223 -0.028 0.000 2.017 245 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 245 L C 2.154 178.950 176.870 -0.124 0.000 1.073 245 L CA 1.466 56.268 54.840 -0.064 0.000 0.745 245 L CB -0.608 41.438 42.059 -0.022 0.000 0.894 245 L HN 0.052 nan 8.230 nan 0.000 0.432 246 L N -0.949 120.232 121.223 -0.071 0.000 2.083 246 L HA -0.240 4.100 4.340 -0.000 0.000 0.209 246 L C 2.533 179.339 176.870 -0.106 0.000 1.083 246 L CA 1.392 56.185 54.840 -0.077 0.000 0.752 246 L CB -0.518 41.529 42.059 -0.019 0.000 0.899 246 L HN 0.314 nan 8.230 nan 0.000 0.433 247 I N -0.347 120.172 120.570 -0.085 0.000 2.315 247 I HA -0.261 3.909 4.170 -0.000 0.000 0.248 247 I C 2.486 178.532 176.117 -0.118 0.000 1.117 247 I CA 1.250 62.500 61.300 -0.083 0.000 1.404 247 I CB -0.202 37.768 38.000 -0.050 0.000 1.071 247 I HN 0.227 nan 8.210 nan 0.000 0.419 248 K N 0.271 120.570 120.400 -0.167 0.000 2.057 248 K HA -0.140 4.180 4.320 -0.000 0.000 0.206 248 K C 2.141 178.480 176.600 -0.435 0.000 1.050 248 K CA 2.014 58.161 56.287 -0.234 0.000 0.935 248 K CB -0.348 32.002 32.500 -0.250 0.000 0.715 248 K HN 0.452 nan 8.250 nan 0.000 0.439 249 T N -2.067 112.148 114.554 -0.564 0.000 2.985 249 T HA 0.112 4.462 4.350 -0.000 0.000 0.266 249 T C 0.847 175.439 174.700 -0.180 0.000 1.076 249 T CA 0.521 62.298 62.100 -0.538 0.000 1.135 249 T CB 0.135 68.762 68.868 -0.401 0.000 0.890 249 T HN 0.299 nan 8.240 nan 0.000 0.480 250 G N 0.677 109.388 108.800 -0.148 0.000 3.400 250 G HA2 0.111 4.071 3.960 -0.000 0.000 0.679 250 G HA3 0.111 4.071 3.960 -0.000 0.000 0.679 250 G C -0.198 174.621 174.900 -0.135 0.000 1.239 250 G CA -0.232 44.806 45.100 -0.104 0.000 1.049 250 G HN 0.347 nan 8.290 nan 0.000 0.539 251 L N 3.110 124.217 121.223 -0.193 0.000 1.956 251 L HA 0.092 4.432 4.340 -0.000 0.000 0.216 251 L C 2.777 179.636 176.870 -0.018 0.000 1.073 251 L CA 2.686 57.437 54.840 -0.149 0.000 0.762 251 L CB -0.807 41.120 42.059 -0.220 0.000 0.889 251 L HN 0.656 nan 8.230 nan 0.000 0.433 252 F N 0.684 120.541 119.950 -0.154 0.000 2.102 252 F HA -0.153 4.374 4.527 -0.000 0.000 0.298 252 F C 2.694 178.386 175.800 -0.179 0.000 1.105 252 F CA 1.647 59.528 58.000 -0.199 0.000 1.239 252 F CB -1.477 37.322 39.000 -0.335 0.000 0.991 252 F HN 0.259 nan 8.300 nan 0.000 0.474 253 R N 0.349 120.838 120.500 -0.019 0.000 2.115 253 R HA 0.005 4.345 4.340 -0.000 0.000 0.230 253 R C 2.406 178.699 176.300 -0.012 0.000 1.111 253 R CA 1.401 57.484 56.100 -0.028 0.000 0.976 253 R CB -1.517 28.763 30.300 -0.033 0.000 0.870 253 R HN 0.283 nan 8.270 nan 0.000 0.445 254 G N 2.000 110.792 108.800 -0.014 0.000 2.418 254 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.217 254 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.217 254 G C 1.551 176.463 174.900 0.019 0.000 1.158 254 G CA 0.625 45.724 45.100 -0.002 0.000 0.771 254 G HN 0.170 nan 8.290 nan 0.000 0.545 255 L N -0.047 121.193 121.223 0.028 0.000 2.046 255 L HA -0.055 4.285 4.340 -0.000 0.000 0.208 255 L C 2.986 179.858 176.870 0.004 0.000 1.077 255 L CA 1.316 56.177 54.840 0.035 0.000 0.747 255 L CB -0.280 41.811 42.059 0.052 0.000 0.896 255 L HN 0.165 nan 8.230 nan 0.000 0.432 256 K N -0.726 119.662 120.400 -0.019 0.000 2.097 256 K HA -0.134 4.186 4.320 -0.000 0.000 0.206 256 K C 2.069 178.624 176.600 -0.076 0.000 1.049 256 K CA 1.757 58.011 56.287 -0.055 0.000 0.933 256 K CB -0.265 32.196 32.500 -0.066 0.000 0.717 256 K HN 0.290 nan 8.250 nan 0.000 0.442 257 T N 1.028 115.535 114.554 -0.078 0.000 2.746 257 T HA -0.100 4.249 4.350 -0.000 0.000 0.267 257 T C 2.016 176.598 174.700 -0.195 0.000 1.039 257 T CA 1.133 63.133 62.100 -0.168 0.000 1.142 257 T CB -0.149 68.677 68.868 -0.070 0.000 0.866 257 T HN -0.054 nan 8.240 nan 0.000 0.444 258 V N 1.523 121.438 119.914 0.001 0.000 2.343 258 V HA -0.106 4.014 4.120 -0.000 0.000 0.247 258 V C 2.448 178.559 176.094 0.028 0.000 1.051 258 V CA 1.429 63.794 62.300 0.108 0.000 1.036 258 V CB -0.658 31.236 31.823 0.119 0.000 0.654 258 V HN 0.438 nan 8.190 nan 0.000 0.451 259 L N -0.523 120.678 121.223 -0.037 0.000 2.201 259 L HA -0.186 4.154 4.340 -0.000 0.000 0.212 259 L C 2.545 179.334 176.870 -0.135 0.000 1.105 259 L CA 1.652 56.423 54.840 -0.115 0.000 0.775 259 L CB -0.716 41.274 42.059 -0.115 0.000 0.913 259 L HN 0.477 nan 8.230 nan 0.000 0.440 260 H N -0.644 118.281 119.070 -0.243 0.000 2.357 260 H HA -0.196 4.360 4.556 0.000 0.000 0.301 260 H C 1.887 177.098 175.328 -0.196 0.000 1.082 260 H CA 1.800 57.683 56.048 -0.275 0.000 1.342 260 H CB -0.110 29.404 29.762 -0.413 0.000 1.389 260 H HN 0.217 nan 8.280 nan 0.000 0.511 261 Y N -0.221 119.992 120.300 -0.145 0.000 2.509 261 Y HA -0.025 4.525 4.550 0.000 0.000 0.293 261 Y C 1.929 177.738 175.900 -0.152 0.000 1.133 261 Y CA 0.722 58.714 58.100 -0.179 0.000 1.283 261 Y CB -0.373 38.063 38.460 -0.040 0.000 1.001 261 Y HN 0.303 nan 8.280 nan 0.000 0.555 262 M N -0.350 119.233 119.600 -0.029 0.000 2.505 262 M HA 0.022 4.502 4.480 -0.000 0.000 0.230 262 M C -0.306 175.894 176.300 -0.167 0.000 1.153 262 M CA 0.512 55.761 55.300 -0.084 0.000 0.997 262 M CB 0.116 32.625 32.600 -0.152 0.000 1.606 262 M HN 0.070 nan 8.290 nan 0.000 0.481 263 D N -0.667 119.628 120.400 -0.175 0.000 2.945 263 D HA -0.145 4.495 4.640 -0.000 0.000 0.225 263 D C 0.727 176.926 176.300 -0.169 0.000 1.158 263 D CA 0.421 54.323 54.000 -0.163 0.000 0.805 263 D CB -1.463 39.277 40.800 -0.101 0.000 1.098 263 D HN 0.251 nan 8.370 nan 0.000 0.426 264 V N -0.920 118.857 119.914 -0.227 0.000 2.690 264 V HA 0.033 4.153 4.120 -0.000 0.000 0.240 264 V C 1.166 177.182 176.094 -0.129 0.000 1.078 264 V CA 0.559 62.719 62.300 -0.233 0.000 1.102 264 V CB 0.793 32.351 31.823 -0.442 0.000 0.800 264 V HN 0.071 nan 8.190 nan 0.000 0.479 265 V N 0.908 120.763 119.914 -0.098 0.000 2.370 265 V HA 0.278 4.398 4.120 -0.000 0.000 0.279 265 V C 1.190 177.335 176.094 0.083 0.000 1.029 265 V CA 0.186 62.465 62.300 -0.036 0.000 0.870 265 V CB 1.248 33.035 31.823 -0.059 0.000 0.984 265 V HN 0.346 nan 8.190 nan 0.000 0.451 266 S N 3.728 119.459 115.700 0.053 0.000 2.356 266 S HA -0.034 4.436 4.470 -0.000 0.000 0.223 266 S C 0.604 175.221 174.600 0.029 0.000 1.032 266 S CA 1.020 59.277 58.200 0.096 0.000 1.005 266 S CB 0.113 63.335 63.200 0.036 0.000 0.867 266 S HN 0.549 nan 8.310 nan 0.000 0.449 267 V N 3.304 123.182 119.914 -0.059 0.000 2.443 267 V HA 0.307 4.427 4.120 -0.000 0.000 0.293 267 V C -2.217 173.795 176.094 -0.137 0.000 1.021 267 V CA -1.567 60.645 62.300 -0.148 0.000 0.848 267 V CB 1.886 33.676 31.823 -0.054 0.000 0.998 267 V HN 0.152 nan 8.190 nan 0.000 0.424 268 P HA 0.197 nan 4.420 nan 0.000 0.253 268 P C -0.106 177.158 177.300 -0.060 0.000 1.508 268 P CA 0.005 63.017 63.100 -0.146 0.000 0.883 268 P CB 0.259 31.828 31.700 -0.218 0.000 1.519 269 L N -0.291 120.932 121.223 -0.000 0.000 2.399 269 L HA 0.335 4.675 4.340 -0.000 0.000 0.266 269 L C 0.815 177.789 176.870 0.173 0.000 1.114 269 L CA -0.633 54.247 54.840 0.067 0.000 0.804 269 L CB 0.812 42.912 42.059 0.068 0.000 1.146 269 L HN 0.017 nan 8.230 nan 0.000 0.451 270 C N 0.744 120.139 119.300 0.158 0.000 2.407 270 C HA 0.484 4.944 4.460 -0.000 0.000 0.366 270 C C 0.543 175.666 174.990 0.223 0.000 1.213 270 C CA -0.817 58.336 59.018 0.225 0.000 2.011 270 C CB 1.652 29.384 27.740 -0.013 0.000 2.306 270 C HN 0.735 nan 8.230 nan 0.000 0.527 271 R N 1.260 121.893 120.500 0.221 0.000 2.490 271 R HA 0.233 4.573 4.340 -0.000 0.000 0.278 271 R C -0.105 176.310 176.300 0.192 0.000 1.069 271 R CA -0.432 55.691 56.100 0.038 0.000 1.080 271 R CB 0.523 30.734 30.300 -0.149 0.000 1.030 271 R HN 0.526 nan 8.270 nan 0.000 0.491 272 K N 3.007 123.448 120.400 0.069 0.000 2.414 272 K HA 0.015 4.335 4.320 -0.000 0.000 0.272 272 K C -1.332 175.272 176.600 0.007 0.000 0.993 272 K CA -0.966 55.352 56.287 0.051 0.000 0.964 272 K CB 0.361 32.867 32.500 0.009 0.000 0.925 272 K HN 0.498 nan 8.250 nan 0.000 0.487 273 P HA -0.046 nan 4.420 nan 0.000 0.239 273 P C -0.138 177.123 177.300 -0.064 0.000 1.184 273 P CA 0.258 63.306 63.100 -0.087 0.000 0.760 273 P CB 0.130 31.748 31.700 -0.136 0.000 0.884 274 F N 1.468 121.442 119.950 0.041 0.000 2.538 274 F HA 0.317 4.843 4.527 -0.000 0.000 0.371 274 F C 1.817 177.641 175.800 0.039 0.000 1.087 274 F CA 0.404 58.433 58.000 0.049 0.000 1.250 274 F CB 0.156 39.210 39.000 0.090 0.000 1.110 274 F HN -0.091 nan 8.300 nan 0.000 0.570 275 G N 3.836 112.778 108.800 0.236 0.000 2.535 275 G HA2 0.591 4.551 3.960 -0.000 0.000 0.303 275 G HA3 0.591 4.551 3.960 -0.000 0.000 0.303 275 G C -2.547 172.434 174.900 0.135 0.000 1.237 275 G CA -1.271 43.915 45.100 0.143 0.000 0.986 275 G HN 0.422 nan 8.290 nan 0.000 0.494 276 P HA 0.269 nan 4.420 nan 0.000 0.277 276 P C -0.285 177.070 177.300 0.091 0.000 1.271 276 P CA -0.406 62.741 63.100 0.078 0.000 0.795 276 P CB 1.066 32.800 31.700 0.057 0.000 1.101 277 V N 1.441 121.408 119.914 0.088 0.000 2.614 277 V HA 0.017 4.137 4.120 -0.000 0.000 0.291 277 V C 0.958 177.145 176.094 0.156 0.000 1.049 277 V CA 0.035 62.414 62.300 0.131 0.000 1.038 277 V CB 0.178 32.077 31.823 0.127 0.000 0.980 277 V HN 0.600 nan 8.190 nan 0.000 0.481 278 D N 3.977 124.512 120.400 0.225 0.000 2.417 278 D HA -0.010 4.630 4.640 -0.000 0.000 0.250 278 D C 1.298 177.650 176.300 0.087 0.000 1.166 278 D CA 0.029 54.109 54.000 0.133 0.000 0.881 278 D CB 1.056 41.915 40.800 0.098 0.000 1.164 278 D HN 0.598 nan 8.370 nan 0.000 0.467 279 E N 3.502 123.722 120.200 0.035 0.000 2.187 279 E HA -0.260 4.090 4.350 -0.000 0.000 0.199 279 E C 1.690 178.280 176.600 -0.016 0.000 1.004 279 E CA 1.095 57.513 56.400 0.030 0.000 0.813 279 E CB -0.112 29.598 29.700 0.015 0.000 0.736 279 E HN 0.694 nan 8.360 nan 0.000 0.468 280 K N -0.032 120.286 120.400 -0.137 0.000 2.360 280 K HA -0.143 4.177 4.320 -0.000 0.000 0.201 280 K C 1.268 177.742 176.600 -0.209 0.000 1.046 280 K CA 1.170 57.323 56.287 -0.222 0.000 0.945 280 K CB -0.224 32.059 32.500 -0.362 0.000 0.750 280 K HN 0.125 nan 8.250 nan 0.000 0.464 281 Y N 1.252 121.580 120.300 0.046 0.000 2.500 281 Y HA 0.209 4.759 4.550 -0.000 0.000 0.270 281 Y C 1.815 177.757 175.900 0.070 0.000 1.134 281 Y CA -0.329 57.802 58.100 0.053 0.000 1.293 281 Y CB -0.022 38.471 38.460 0.055 0.000 1.063 281 Y HN -0.088 nan 8.280 nan 0.000 0.534 282 L N 0.283 121.627 121.223 0.202 0.000 2.042 282 L HA -0.176 4.163 4.340 -0.000 0.000 0.210 282 L C -0.440 176.485 176.870 0.091 0.000 1.076 282 L CA 1.335 56.284 54.840 0.182 0.000 0.749 282 L CB -1.669 40.487 42.059 0.162 0.000 0.893 282 L HN 0.160 nan 8.230 nan 0.000 0.432 283 P HA -0.177 nan 4.420 nan 0.000 0.215 283 P C 1.315 178.633 177.300 0.029 0.000 1.153 283 P CA 1.352 64.462 63.100 0.016 0.000 0.853 283 P CB 0.066 31.777 31.700 0.018 0.000 0.788 284 E N -0.817 119.432 120.200 0.081 0.000 2.106 284 E HA -0.094 4.256 4.350 -0.000 0.000 0.192 284 E C 2.007 178.660 176.600 0.088 0.000 0.984 284 E CA 0.780 57.231 56.400 0.085 0.000 0.806 284 E CB -0.538 29.234 29.700 0.120 0.000 0.750 284 E HN 0.234 nan 8.360 nan 0.000 0.458 285 L N 0.891 122.191 121.223 0.129 0.000 2.056 285 L HA -0.166 4.174 4.340 -0.000 0.000 0.207 285 L C 2.370 179.327 176.870 0.145 0.000 1.078 285 L CA 1.151 56.098 54.840 0.179 0.000 0.749 285 L CB -0.253 41.977 42.059 0.285 0.000 0.901 285 L HN 0.022 nan 8.230 nan 0.000 0.433 286 K N 0.069 120.439 120.400 -0.050 0.000 2.057 286 K HA -0.104 4.216 4.320 -0.000 0.000 0.206 286 K C 2.238 178.768 176.600 -0.116 0.000 1.050 286 K CA 1.277 57.366 56.287 -0.329 0.000 0.935 286 K CB -0.204 31.983 32.500 -0.521 0.000 0.715 286 K HN 0.261 nan 8.250 nan 0.000 0.439 287 A N 1.374 124.166 122.820 -0.047 0.000 1.930 287 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 287 A C 2.061 179.662 177.584 0.029 0.000 1.175 287 A CA 1.045 53.077 52.037 -0.009 0.000 0.627 287 A CB -0.421 18.582 19.000 0.005 0.000 0.815 287 A HN 0.230 nan 8.150 nan 0.000 0.443 288 L N -0.174 121.082 121.223 0.055 0.000 2.056 288 L HA -0.026 4.314 4.340 -0.000 0.000 0.207 288 L C 2.634 179.569 176.870 0.108 0.000 1.078 288 L CA 2.174 57.063 54.840 0.082 0.000 0.749 288 L CB -0.913 41.200 42.059 0.091 0.000 0.901 288 L HN 0.327 nan 8.230 nan 0.000 0.433 289 A N -0.858 122.035 122.820 0.122 0.000 1.883 289 A HA -0.303 4.017 4.320 -0.000 0.000 0.217 289 A C 2.283 179.936 177.584 0.114 0.000 1.186 289 A CA 1.900 54.026 52.037 0.149 0.000 0.624 289 A CB -0.817 18.303 19.000 0.200 0.000 0.822 289 A HN 0.598 nan 8.150 nan 0.000 0.444 290 Q N -0.194 119.643 119.800 0.063 0.000 2.096 290 Q HA -0.241 4.099 4.340 -0.000 0.000 0.204 290 Q C 2.202 178.240 176.000 0.063 0.000 0.982 290 Q CA 2.465 58.294 55.803 0.044 0.000 0.850 290 Q CB -0.468 28.275 28.738 0.008 0.000 0.901 290 Q HN 0.773 nan 8.270 nan 0.000 0.422 291 Q N -0.526 119.318 119.800 0.073 0.000 2.020 291 Q HA -0.161 4.178 4.340 -0.000 0.000 0.202 291 Q C 2.097 178.177 176.000 0.134 0.000 0.982 291 Q CA 1.667 57.521 55.803 0.085 0.000 0.838 291 Q CB -0.204 28.582 28.738 0.080 0.000 0.899 291 Q HN 0.532 nan 8.270 nan 0.000 0.423 292 L N 0.013 121.351 121.223 0.192 0.000 2.079 292 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 292 L C 2.673 179.705 176.870 0.270 0.000 1.081 292 L CA 1.149 56.191 54.840 0.337 0.000 0.752 292 L CB -0.349 41.944 42.059 0.390 0.000 0.896 292 L HN 0.389 nan 8.230 nan 0.000 0.433 293 M N -1.275 118.431 119.600 0.178 0.000 2.175 293 M HA -0.186 4.294 4.480 -0.000 0.000 0.264 293 M C 2.367 178.678 176.300 0.018 0.000 1.063 293 M CA 1.448 56.808 55.300 0.100 0.000 1.119 293 M CB -0.319 32.335 32.600 0.091 0.000 1.377 293 M HN 0.272 nan 8.290 nan 0.000 0.415 294 Q N 0.133 119.952 119.800 0.030 0.000 2.084 294 Q HA -0.206 4.134 4.340 -0.000 0.000 0.202 294 Q C 1.849 177.830 176.000 -0.033 0.000 0.978 294 Q CA 1.547 57.350 55.803 0.000 0.000 0.844 294 Q CB -0.302 28.446 28.738 0.017 0.000 0.898 294 Q HN 0.621 nan 8.270 nan 0.000 0.426 295 E N 0.645 120.841 120.200 -0.007 0.000 2.047 295 E HA -0.129 4.221 4.350 -0.000 0.000 0.191 295 E C 1.191 177.623 176.600 -0.280 0.000 0.987 295 E CA 0.269 56.644 56.400 -0.042 0.000 0.799 295 E CB 0.211 30.000 29.700 0.149 0.000 0.752 295 E HN 0.080 nan 8.360 nan 0.000 0.449 296 R N 0.000 120.217 120.500 -0.472 0.000 2.786 296 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 296 R CA 0.000 55.617 56.100 -0.804 0.000 0.921 296 R CB 0.000 29.656 30.300 -1.073 0.000 0.687 296 R HN 0.000 nan 8.270 nan 0.000 0.535